Geometry & MOs

Info

ID:	123207
PubChem CID:	50837751
Reduced:	FSN2O5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-194.09
Dipole, Da:	3.26
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC=CC=C4F

DOS

IR

Vibrations