Geometry & MOs

Info

ID:	133057
PubChem CID:	51469166
Reduced:	NSO5C26H27 (1)
Stoich.:	ABC5D26E27 (1)
Weight, g/mol:	395.154172
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	5.81
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)CCC(=O)C3=C(SC(=C3)C)C

DOS

IR

Vibrations