Geometry & MOs

Info

ID:	86087
PubChem CID:	49881761
Reduced:	S2O3N4C25H28 (1)
Stoich.:	A2B3C4D25E28 (1)
Weight, g/mol:	492.061209
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	10.55
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations