Geometry & MOs

Info

ID:

223918

PubChem CID:

85335779

Reduced:

N8O13C30H44 (1)

Stoich.:

A8B13C30D44 (1)

Weight, g/mol:

728.418088

ΔHf, kcal/mol:

-570.49

Dipole, Da:

10.79

IP(EA), eV:

 -9.75(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)N)O

DOS

IR

Vibrations