Geometry & MOs

Info

ID:	141906
PubChem CID:	52949545
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	10.65
Dipole, Da:	9.59
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamidophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=CC=C2)NC3=NC(=O)N=C(N3)N(C)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations