Geometry & MOs

Info

ID:	80237
PubChem CID:	49833679
Reduced:	FO3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	510.206719
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	8.11
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-1-[7-[4-(1H-imidazol-2-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperidin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(N1)C=C(C=N2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCC(CC5)CF

DOS

IR

Vibrations