Geometry & MOs

Info

ID:	302778
PubChem CID:	124395237
Reduced:	SCl2N2O3H20C21 (1)
Stoich.:	AB2C2D3E20F21 (1)
Weight, g/mol:	493.214761
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	6.07
IP(EA), eV:	-8.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1Cl)/C=C\2/C(=O)N=C(S2)NC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations