Geometry & MOs

Info

ID:

222947

PubChem CID:

85333430

Reduced:

N9O11C29H51 (1)

Stoich.:

A9B11C29D51 (1)

Weight, g/mol:

703.313662

ΔHf, kcal/mol:

-529.62

Dipole, Da:

7.47

IP(EA), eV:

 -9.58(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[1-(2-acetamidoethyl)cyclopentyl]-hydroxymethyl]amino]-3-[4-[3-butanoyl-2-(4-chlorophenyl)-5-oxo-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations