Geometry & MOs

Info

ID:	360587
PubChem CID:	127301232
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	380.167083
ΔH_f, kcal/mol:	16.54
Dipole, Da:	5.99
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C(C)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations