Geometry & MOs

Info

ID:	126092
PubChem CID:	50950969
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	5.93
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-1H-1,2,4-triazol-5-yl)-N-butyl-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)N(C)CCCSC2=CC=CC=C2

DOS

IR

Vibrations