Geometry & MOs

Info

ID:	152286
PubChem CID:	56311185
Reduced:	SN3O5C25H37 (1)
Stoich.:	AB3C5D25E37 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-215.27
Dipole, Da:	7.97
IP(EA), eV:	-8.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations