Geometry & MOs

Info

ID:	30553
PubChem CID:	841486
Reduced:	ClN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	11.22
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenylcarbamoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations