Geometry & MOs

Info

ID:	84681
PubChem CID:	49869294
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	714.352317
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	3.48
IP(EA), eV:	-8.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[5-(diaminomethylideneamino)-1-[[4-methyl-1-[[3-methyl-1-[[(E)-3-(pyridin-4-ylmethylsulfonyl)prop-2-enoyl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

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=C(C=C(C=C1)C2=CC(=CN=C2)N3CC4CC5CC3CN(C5)C4)F

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=C(C=C(C=C1)C2=CC(=CN=C2)N3CC4CC5CC3CN(C5)C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):