Geometry & MOs

Info

ID:	152280
PubChem CID:	56311177
Reduced:	SO4N5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	428.202382
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	2.36
IP(EA), eV:	-8.49(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations