Geometry & MOs

Info

ID:	123213
PubChem CID:	50837843
Reduced:	FSN2O5C25H25 (1)
Stoich.:	ABC2D5E25F25 (1)
Weight, g/mol:	461.086385
ΔH_f, kcal/mol:	-181.26
Dipole, Da:	8.97
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfonyl-7-[(3-fluorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC(=CC=C4)F

DOS

IR

Vibrations