Geometry & MOs

Info

ID:	30209
PubChem CID:	840743
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	349.065176
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	1.99
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=O)N1)C2=CC=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations