Geometry & MOs

Info

ID:	60523
PubChem CID:	26697128
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	2.19
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2R)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations