Geometry & MOs

Info

ID:	68445
PubChem CID:	46508421
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	405.101082
ΔH_f, kcal/mol:	18.87
Dipole, Da:	4.86
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC4CCN(CC4)C(=O)C5=CC=CO5

DOS

IR

Vibrations