Geometry & MOs

Info

ID:	122847
PubChem CID:	50824126
Reduced:	SN3O7C23H29 (1)
Stoich.:	AB3C7D23E29 (1)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	-242.17
Dipole, Da:	5.98
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[6-(benzenesulfonyl)-1,3-diethyl-2-oxobenzimidazol-5-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)N2C)C

DOS

IR

Vibrations