Geometry & MOs

Info

ID:	30481
PubChem CID:	841397
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	5.84
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)C

DOS

IR

Vibrations