Geometry & MOs

Info

ID:	56404
PubChem CID:	17425340
Reduced:	N2F3O3H21C26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	472.169975
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	5.0
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations