Geometry & MOs

Info

ID:	271621
PubChem CID:	103685960
Reduced:	N2S2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	306.053798
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	7.09
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=NS(=O)(=O)C2=CC=CC=C21

DOS

IR

Vibrations