Geometry & MOs

Info

ID:	153608
PubChem CID:	56312875
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations