Geometry & MOs

Info

ID:	196285
PubChem CID:	78804599
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	431.972978
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	5.46
IP(EA), eV:	-8.89(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CCC(=O)NNC(=O)COC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations