Geometry & MOs

Info

ID:	86482
PubChem CID:	49886044
Reduced:	OCl2S2N4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	491.111953
ΔH_f, kcal/mol:	24.95
Dipole, Da:	9.9
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NN=C(N2CC)CSC3=CC=CC=C3

DOS

IR

Vibrations