Geometry & MOs

Info

ID:	77451
PubChem CID:	49635610
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	3.54
IP(EA), eV:	-9.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-[2-(2-methylimidazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=C(C=C2)CNC(=O)N(CCO)CC3=CSC=C3

DOS

IR

Vibrations