Geometry & MOs

Info

ID:	151210
PubChem CID:	53790910
Reduced:	OF5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	609.240976
ΔH_f, kcal/mol:	-319.28
Dipole, Da:	4.18
IP(EA), eV:	-9.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[6-[[N'-(benzenesulfonyl)-N,N-dimethylcarbamimidoyl]amino]-2-ethyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CCC(C)(C(CC1=CC(=CC=C1)C(F)(F)F)(F)F)O

DOS

IR

Vibrations