Geometry & MOs

Info

ID:	196201
PubChem CID:	78797094
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	3.81
IP(EA), eV:	-8.69(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NCCC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations