Geometry & MOs

Info

ID:	27423
PubChem CID:	821272
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	5.8
IP(EA), eV:	-9.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CCC(=O)C=C1C(=O)C[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]4(C)O)C

DOS

IR

Vibrations