Geometry & MOs

Info

ID:	23089
PubChem CID:	601784
Reduced:	ClSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	364.064841
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	3.07
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations