Geometry & MOs

Info

ID:	32835
PubChem CID:	7848790
Reduced:	FSN3O6C14H18 (1)
Stoich.:	ABC3D6E14F18 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-282.64
Dipole, Da:	4.39
IP(EA), eV:	-10.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC)OC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations