Geometry & MOs

Info

ID:	123208
PubChem CID:	50837838
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	461.086385
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	3.17
IP(EA), eV:	-8.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC=CC=C4)C

DOS

IR

Vibrations