Geometry & MOs

Info

ID:	60391
PubChem CID:	26683989
Reduced:	N2O3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	1.41
IP(EA), eV:	-8.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NCC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations