Geometry & MOs

Info

ID:	122559
PubChem CID:	50812431
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	380.059756
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	1.59
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-N,N-diethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)OCCCO2

DOS

IR

Vibrations