Geometry & MOs

Info

ID:	38308
PubChem CID:	8029804
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	299.095771
ΔH_f, kcal/mol:	-176.76
Dipole, Da:	4.18
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1,4-benzoxazepine-3,5-dione

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)CCCO)C

DOS

IR

Vibrations