Geometry & MOs

Info

ID:	433644
PubChem CID:	135173784
Reduced:	SN4O4C23H24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	456.06195
ΔH_f, kcal/mol:	-86.75
Dipole, Da:	10.44
IP(EA), eV:	-7.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3-bromophenyl)sulfanylamino]phenyl]-3-[3-(dimethylamino)phenyl]urea

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)NSC3=C(C=CC(=C3)C(=O)O)OC

DOS

IR

Vibrations