Geometry & MOs

Info

ID:	336263
PubChem CID:	127255270
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	330.060903
ΔH_f, kcal/mol:	65.18
Dipole, Da:	5.6
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1C)N3C=NN=N3

DOS

IR

Vibrations