Geometry & MOs

Info

ID:	302770
PubChem CID:	124395009
Reduced:	Cl3N3O3H16C22 (1)
Stoich.:	A3B3C3D16E22 (1)
Weight, g/mol:	493.214761
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	6.29
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Cl)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations