Geometry & MOs

Info

ID:

225366

PubChem CID:

85756518

Reduced:

N4O4H14C17 (1)

Stoich.:

A4B4C14D17 (1)

Weight, g/mol:

703.321077

ΔHf, kcal/mol:

-11.55

Dipole, Da:

8.47

IP(EA), eV:

 -9.11(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3)[N+](=O)[O-]

DOS

IR

Vibrations