Geometry & MOs

Info

ID:	153755
PubChem CID:	56313066
Reduced:	N3O3S3C22H25 (1)
Stoich.:	A3B3C3D22E25 (1)
Weight, g/mol:	477.187541
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	7.26
IP(EA), eV:	-8.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC(C3=CC=CS3)N4CCCC4

DOS

IR

Vibrations