Geometry & MOs

Info

ID:	64517
PubChem CID:	29202746
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	455.166097
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	3.79
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-carbamoylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCCCOC)C3=CC=CC=C3)C

DOS

IR

Vibrations