Geometry & MOs

Info

ID:	35636
PubChem CID:	7980124
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	383.051067
ΔH_f, kcal/mol:	-84.43
Dipole, Da:	4.37
IP(EA), eV:	-8.67(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCC(=O)[C@H](C1)OC(=O)C2=C3CCC/C(=C/C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations