Geometry & MOs

Info

ID:	149603
PubChem CID:	53789277
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	223.012556
ΔH_f, kcal/mol:	-201.93
Dipole, Da:	6.04
IP(EA), eV:	-8.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(thiocyanatomethyl) 3-methylbenzenecarbothioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)N=C(OC2=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations