Geometry & MOs

Info

ID:	406568
PubChem CID:	135078076
Reduced:	ClN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	403.163742
ΔH_f, kcal/mol:	50.56
Dipole, Da:	3.16
IP(EA), eV:	-9.18(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[tert-butyl(dimethyl)silyl]furan-2-yl]methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations