Geometry & MOs

Info

ID:	140178
PubChem CID:	52658774
Reduced:	FS2N3O5C20H26 (1)
Stoich.:	AB2C3D5E20F26 (1)
Weight, g/mol:	438.208947
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	6.17
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations