Geometry & MOs

Info

ID:	385731
PubChem CID:	134979855
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	302.13068
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	7.12
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-benzyl-3-naphthalen-1-ylprop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)[C@H]2CC=C[C@H]([C@H]2C1=O)N3[C@@H](COC3=S)C4=CC=CC=C4

DOS

IR

Vibrations