Geometry & MOs

Info

ID:

163864

PubChem CID:

74380566

Reduced:

N13O16C42H77 (1)

Stoich.:

A13B16C42D77 (1)

Weight, g/mol:

639.1845

ΔHf, kcal/mol:

-792.72

Dipole, Da:

13.45

IP(EA), eV:

 -9.43(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7-benzyl-2-bromo-3-oxo-7-azaspiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations