Geometry & MOs

Info

ID:	131605
PubChem CID:	51234257
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	363.096538
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	3.41
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC(C)C

DOS

IR

Vibrations