Geometry & MOs

Info

ID:

170873

PubChem CID:

75289755

Reduced:

N5O7C39H53 (1)

Stoich.:

A5B7C39D53 (1)

Weight, g/mol:

695.31981

ΔHf, kcal/mol:

-252.16

Dipole, Da:

7.7

IP(EA), eV:

 -8.68(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-7-[3,3-dimethyl-2-[3-(2-methylimidazol-1-yl)propanoylamino]butanoyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CC(=NO3)C4=C(OC5=CC=CC=C54)C)CN2C(=O)C(C(C)(C)C)NC(=O)CC6CCCCC6

DOS

IR

Vibrations