Geometry & MOs

Info

ID:	196432
PubChem CID:	78825684
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	4.97
IP(EA), eV:	-8.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CN(CCO)C3CCCCC3)C

DOS

IR

Vibrations