Geometry & MOs

Info

ID:

170874

PubChem CID:

75289760

Reduced:

ClO6N7C35H46 (1)

Stoich.:

AB6C7D35E46 (1)

Weight, g/mol:

701.378849

ΔHf, kcal/mol:

-182.01

Dipole, Da:

9.61

IP(EA), eV:

 -8.81(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3,3-dimethyl-2-[(2-phenylcyclopropanecarbonyl)amino]butanoyl]-3-(4-methoxy-3,5-dimethylphenyl)-N-[1-(methylamino)-1,2-dioxohexan-3-yl]-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=CC(=CC=C4)Cl)CN2C(=O)C(C(C)(C)C)NC(=O)CCN5C=CN=C5C

DOS

IR

Vibrations