Geometry & MOs

Info

ID:	123337
PubChem CID:	50843017
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	454.136257
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	3.9
IP(EA), eV:	-9.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)C2CC2)/C=C/C3=CC=C(S3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations