Geometry & MOs

Info

ID:	86075
PubChem CID:	49881669
Reduced:	O2S2N3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	490.090011
ΔH_f, kcal/mol:	62.26
Dipole, Da:	8.24
IP(EA), eV:	-9.01(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations