Geometry & MOs

Info

ID:	195692
PubChem CID:	78724278
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	327.107519
ΔH_f, kcal/mol:	3.96
Dipole, Da:	4.51
IP(EA), eV:	-8.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methylsulfanylpropyl)-1-[1-(3-nitrophenyl)ethyl]thiourea

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations