Geometry & MOs

Info

ID:	194621
PubChem CID:	78563778
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-204.22
Dipole, Da:	3.49
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)COC2=C(C=C(C=C2)C(=O)C)OC

DOS

IR

Vibrations