Geometry & MOs

Info

ID:	63205
PubChem CID:	26750112
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	388.120526
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	3.96
IP(EA), eV:	-8.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(N2)S[C@@H](C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations