Geometry & MOs

Info

ID:	369948
PubChem CID:	127336881
Reduced:	SO2N3C14H27 (1)
Stoich.:	AB2C3D14E27 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	5.51
IP(EA), eV:	-8.35(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCC(C1)NC(=O)NCC2CCSCC2

DOS

IR

Vibrations