Geometry & MOs

Info

ID:	122556
PubChem CID:	50812276
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-168.62
Dipole, Da:	5.73
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-N-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2OC)OCCCO3

DOS

IR

Vibrations