Geometry & MOs

Info

ID:	394835
PubChem CID:	135023911
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	1.71
IP(EA), eV:	-9.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-cyclohexyl 3-[benzyl(cyano)carbamoyl]benzenecarbothioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C#N

DOS

IR

Vibrations