Geometry & MOs

Info

ID:	26449
PubChem CID:	648586
Reduced:	N3O4H15C19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-88.68
Dipole, Da:	6.23
IP(EA), eV:	-10.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=C2)N3C=CC(=O)NC3=O

DOS

IR

Vibrations