Geometry & MOs

Info

ID:	55921
PubChem CID:	17397452
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	7.47
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCO1)SC2=NNC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations