Geometry & MOs

Info

ID:	51518
PubChem CID:	12014197
Reduced:	NO3H13C15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	420.09662
ΔH_f, kcal/mol:	-195.62
Dipole, Da:	2.6
IP(EA), eV:	-10.01(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-phenyl-2,4-bis[(2-sulfanylphenyl)imino]butanoate

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5CCCCC5)C1=O)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations