Geometry & MOs

Info

ID:	141207
PubChem CID:	52837814
Reduced:	F2N2S2O4C19H22 (1)
Stoich.:	A2B2C2D4E19F22 (1)
Weight, g/mol:	399.150681
ΔH_f, kcal/mol:	-230.12
Dipole, Da:	9.33
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(F)F)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)C

DOS

IR

Vibrations