Geometry & MOs

Info

ID:	36261
PubChem CID:	7982850
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	420.208279
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	7.9
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC(=C1)C

DOS

IR

Vibrations