Geometry & MOs

Info

ID:

219679

PubChem CID:

85164466

Reduced:

N5O7C27H47 (1)

Stoich.:

A5B7C27D47 (1)

Weight, g/mol:

553.201335

ΔHf, kcal/mol:

-365.7

Dipole, Da:

6.06

IP(EA), eV:

 -9.48(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C(C)C)N

DOS

IR

Vibrations