Geometry & MOs

Info

ID:	221753
PubChem CID:	85286108
Reduced:	N3O8C34H41 (1)
Stoich.:	A3B8C34D41 (1)
Weight, g/mol:	617.317311
ΔH_f, kcal/mol:	-268.11
Dipole, Da:	4.17
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methyl-N-[3-methyl-1-[[1-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]butan-2-yl]butanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5CCC(=O)NC5=O)OCCCCN)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5CCC(=O)NC5=O)OCCCCN)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):