Geometry & MOs

Info

ID:	30385
PubChem CID:	841237
Reduced:	NOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	3.68
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-chlorophenyl)urea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations