Geometry & MOs

Info

ID:	153195
PubChem CID:	56312347
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	499.225326
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	7.41
IP(EA), eV:	-8.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCCC2=CCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations