Geometry & MOs

Info

ID:	32804
PubChem CID:	7848548
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	2.26
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

DOS

IR

Vibrations