Geometry & MOs

Info

ID:

56979

PubChem CID:

22395178

Reduced:

N4O5C18H33 (2)

Stoich.:

A4B5C18D33 (2)

Weight, g/mol:

801.449723

ΔHf, kcal/mol:

-541.35

Dipole, Da:

11.96

IP(EA), eV:

 -9.64(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NCC(=O)O)N

DOS

IR

Vibrations