Geometry & MOs

Info

ID:	178172
PubChem CID:	76289945
Reduced:	OSN5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	417.143704
ΔH_f, kcal/mol:	50.23
Dipole, Da:	4.53
IP(EA), eV:	-8.44(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(2-cyanophenyl)prop-2-enoylamino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C=CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations