Geometry & MOs

Info

ID:	161861
PubChem CID:	57392872
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	7.54
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[(3R,5S)-3,5-dimethyl-7-methylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N(C)C4CCCCC4

DOS

IR

Vibrations