Geometry & MOs

Info

ID:

215508

PubChem CID:

85084840

Reduced:

N10O13C46H76 (1)

Stoich.:

A10B13C46D76 (1)

Weight, g/mol:

977.511671

ΔHf, kcal/mol:

-645.47

Dipole, Da:

4.46

IP(EA), eV:

 -9.18(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[6-amino-2-[[2-[[2-[[1-[5-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations