Geometry & MOs

Info

ID:	195698
PubChem CID:	78724284
Reduced:	N2O3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	394.050254
ΔH_f, kcal/mol:	-133.69
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755151
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenyl)-1-methyl-1-[1-(3-nitrophenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations