Geometry & MOs

Info

ID:	236968
PubChem CID:	92716487
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	469.14382
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	2.04
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN2C(=CC3=C2C(=CC=C3)O1)C(=O)OCC

DOS

IR

Vibrations