Geometry & MOs

Info

ID:	165232
PubChem CID:	74519785
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	15.84
Dipole, Da:	2.24
IP(EA), eV:	-8.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC(=O)CSC3=NN=NN3CC4CCCO4)C)C

DOS

IR

Vibrations