Geometry & MOs

Info

ID:

379290

PubChem CID:

134357072

Reduced:

FO3N5C21H22 (1)

Stoich.:

AB3C5D21E22 (1)

Weight, g/mol:

440.253589

ΔHf, kcal/mol:

-79.43

Dipole, Da:

8.8

IP(EA), eV:

 -9.06(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[(1E,3Z)-1,4-diamino-4-(5-methylpyridin-3-yl)buta-1,3-dienyl]amino]-2-oxoethyl]-6-ethyl-N-formyl-N-methyl-2,3,4,5-tetrahydroazepine-7-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(CCCN1CC(=O)NC2=CN=C(C=C2)C3=CN=C(C=C3)F)C=O

DOS

IR

Vibrations