Geometry & MOs

Info

ID:	195696
PubChem CID:	78724282
Reduced:	O2N3S3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	1.45
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCSC1=NN=C(S1)SCC(=O)C2=CC3=C(C=C2)NC(=O)C3C

DOS

IR

Vibrations