Geometry & MOs

Info

ID:	183239
PubChem CID:	76996210
Reduced:	SO2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	247.135448
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	8.55
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-methylsulfanylpropyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC2=CC=C(C=C2)C=CC(=O)O)C

DOS

IR

Vibrations