Geometry & MOs

Info

ID:	32782
PubChem CID:	7848311
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	3.18
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC(=O)NC1=CC(=CC=C1)OC

DOS

IR

Vibrations