Geometry & MOs

Info

ID:	302680
PubChem CID:	124391975
Reduced:	ClSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	524.184189
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	3.53
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[(1S)-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N([C@@H](C)C(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C)C

DOS

IR

Vibrations