Geometry & MOs

Info

ID:	43534
PubChem CID:	10321431
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.098746
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	4.76
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-[4-[3-(2-ethoxy-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-yl]phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC=NN4C3=C(C(=C4)C(=O)NC[C@@H]5CCCO5)C

DOS

IR

Vibrations