Geometry & MOs

Info

ID:	240969
PubChem CID:	93618486
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	-67.91
Dipole, Da:	0.63
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methylsulfanyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[C@@H](C)NC(=O)C2=NC=CN=C2N)OC)OC

DOS

IR

Vibrations