Geometry & MOs

Info

ID:	159626
PubChem CID:	57288551
Reduced:	SN3O6C29H41 (1)
Stoich.:	AB3C6D29E41 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	-265.87
Dipole, Da:	3.54
IP(EA), eV:	-9.02(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-ethylsulfanylethyl)-4-[4-(1H-imidazol-2-yloxy)phenoxy]-3-oxopentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)N)C3=CC(=CC=C3)OCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations