Geometry & MOs

Info

ID:	440713
PubChem CID:	135231079
Reduced:	NSC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	400.076075
ΔH_f, kcal/mol:	35.62
Dipole, Da:	3.06
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)sulfinamoylphenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)SC)C#N

DOS

IR

Vibrations