Geometry & MOs

Info

ID:	178377
PubChem CID:	76317785
Reduced:	SN5O7C34H39 (1)
Stoich.:	AB5C7D34E39 (1)
Weight, g/mol:	424.147016
ΔH_f, kcal/mol:	-207.6
Dipole, Da:	8.51
IP(EA), eV:	-8.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(10H-phenothiazin-2-yl)-4-phenyl-2,4-dihydropyrazolo[3,4-d]pyrimidin-6-amine

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=C(C=C(C=C1)NC(=O)OC)[C@H]2CCCN2C(=O)[C@@H](C3=CC(=C(C=C3)OC)OC)NC4=CC5=C(C=C4)C(=NC=C5)N

DOS

IR

Vibrations