Geometry & MOs

Info

ID:	122561
PubChem CID:	50812544
Reduced:	ClSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	4.86
IP(EA), eV:	-9.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-5H-benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)C(=O)NC4=CC=CC=C4O3)Cl

DOS

IR

Vibrations