Geometry & MOs

Info

ID:	123216
PubChem CID:	50837870
Reduced:	FNSO4H22C23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	451.18173
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	5.06
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(phenylmethoxymethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

C1COC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)F)C=C(C=C2)COCC4=CC=CC=C4

DOS

IR

Vibrations