Geometry & MOs

Info

ID:	242977
PubChem CID:	99214702
Reduced:	SO3N6C19H28 (1)
Stoich.:	AB3C6D19E28 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-102.98
Dipole, Da:	5.42
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-3-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N(C(=O)N2)CCCNC(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations