Geometry & MOs

Info

ID:	34388
PubChem CID:	7891050
Reduced:	ClOS2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	38.05
Dipole, Da:	5.81
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@H](C)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations