Geometry & MOs

Info

ID:	299824
PubChem CID:	117695776
Reduced:	ClSO2N4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	407.074678
ΔH_f, kcal/mol:	17.25
Dipole, Da:	6.7
IP(EA), eV:	-8.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-methyl-8-prop-1-ynyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC2=C(C=C1)C3=C(CCO2)C=C(S3)C4=NC=CN4C5=CC=CC=C5Cl

DOS

IR

Vibrations