Geometry & MOs

Info

ID:

223893

PubChem CID:

85335712

Reduced:

N5O9C32H51 (1)

Stoich.:

A5B9C32D51 (1)

Weight, g/mol:

651.301661

ΔHf, kcal/mol:

-373.92

Dipole, Da:

10.74

IP(EA), eV:

 -8.86(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)CNC(=O)OC2CCC3(CO3)C(C2OC)C4(C(O4)CC=C(C)C)C

DOS

IR

Vibrations