Geometry & MOs

Info

ID:	436280
PubChem CID:	135197105
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	542.166014
ΔH_f, kcal/mol:	47.36
Dipole, Da:	3.49
IP(EA), eV:	-9.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C=CC=NC1C2=NN(C=C2)C(C)(C)C

DOS

IR

Vibrations