Geometry & MOs

Info

ID:	132848
PubChem CID:	51432310
Reduced:	ClOSN5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	25.7
Dipole, Da:	3.12
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCC1)SC2=NN=NN2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations