Geometry & MOs

Info

ID:	362073
PubChem CID:	127305685
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	31.48
Dipole, Da:	3.71
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N(C)C3CCCC4=C3SC(=N4)C

DOS

IR

Vibrations