Geometry & MOs

Info

ID:	157052
PubChem CID:	56413059
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	494.191166
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	5.63
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations