Geometry & MOs

Info

ID:	224655
PubChem CID:	85345755
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	5.92
IP(EA), eV:	-9.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-benzyl-4-phenylimidazolidin-2-ylidene)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC=C=C)CC(C)C)C

DOS

IR

Vibrations