Geometry & MOs

Info

ID:	30704
PubChem CID:	841748
Reduced:	ClNO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	2.7
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC(=O)N[C@@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations