Geometry & MOs

Info

ID:	130049
PubChem CID:	51074754
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	318.12628
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	6.55
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylbutan-2-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CSC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations