Geometry & MOs

Info

ID:	47113
PubChem CID:	10529702
Reduced:	N6O6C25H30 (1)
Stoich.:	A6B6C25D30 (1)
Weight, g/mol:	510.222683
ΔH_f, kcal/mol:	-174.86
Dipole, Da:	7.54
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrol-2-yl]prop-2-enoic acid

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

CN(C)C(=O)CN1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

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

CN(C)C(=O)CN1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):