Geometry & MOs

Info

ID:	32421
PubChem CID:	7812208
Reduced:	FSN2O4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	413.139386
ΔH_f, kcal/mol:	-194.88
Dipole, Da:	1.19
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)COC(=O)CSCC(=O)NC1=CC=C(C=C1)F

DOS

IR

Vibrations