Geometry & MOs

Info

ID:

958

PubChem CID:

3584

Reduced:

N4O4C29H44 (1)

Stoich.:

A4B4C29D44 (1)

Weight, g/mol:

512.336256

ΔHf, kcal/mol:

-180.81

Dipole, Da:

7.65

IP(EA), eV:

 -8.2(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CNC2=CC=CC=C21)NC

DOS

IR

Vibrations