Geometry & MOs

Info

ID:	134376
PubChem CID:	51687706
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	380.14193
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	3.52
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C=C2)NC[C@H]3COCCO3

DOS

IR

Vibrations