Geometry & MOs

Info

ID:	393653
PubChem CID:	135021431
Reduced:	ON2C19H19 (2)
Stoich.:	AB2C19D19 (2)
Weight, g/mol:	478.114293
ΔH_f, kcal/mol:	65.88
Dipole, Da:	4.54
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[3-(4-chlorophenyl)-3-formamido-1-(4-methoxyphenyl)-2-nitropropyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@]3(C(=CC(=NC(C)(C)CC(C)(C)C)C3(C#N)C#N)C(=O)C4=CC=CC=C4)C(=O)N2CC5=CC=CC=C5)C

DOS

IR

Vibrations