Geometry & MOs

Info

ID:	245385
PubChem CID:	99444186
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	434.117939
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	1.66
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C2CC2)C(=O)CN3C4=CC=CC=C4O[C@H](C3=O)C

DOS

IR

Vibrations