Geometry & MOs

Info

ID:	169536
PubChem CID:	75117937
Reduced:	SCl2N3O4C16H21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	448.13584
ΔH_f, kcal/mol:	-189.76
Dipole, Da:	2.78
IP(EA), eV:	-9.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-5-oxo-N-(3,4,5-trifluorophenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)NC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations