Geometry & MOs

Info

ID:

176658

PubChem CID:

76080077

Reduced:

O5C13H18 (2)

Stoich.:

A5B13C18 (2)

Weight, g/mol:

630.176038

ΔHf, kcal/mol:

-453.42

Dipole, Da:

11.95

IP(EA), eV:

 -9.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[2-[[2-[(2,3-dichlorophenyl)carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2C(=O)COC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC(=O)CCC35)O

DOS

IR

Vibrations