Geometry & MOs

Info

ID:	122036
PubChem CID:	50790571
Reduced:	S2N4O5C21H22 (1)
Stoich.:	A2B4C5D21E22 (1)
Weight, g/mol:	404.140389
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	7.82
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

DOS

IR

Vibrations