Geometry & MOs

Info

ID:	328408
PubChem CID:	126706240
Reduced:	SC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	2.47
IP(EA), eV:	-8.36(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-[2-[4-(4-hydroxypiperidin-1-yl)benzenecarboximidoyl]-4,5-dimethoxyphenyl]propan-2-yl]-3-methylurea

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\SC(C)C

DOS

IR

Vibrations