Geometry & MOs

Info

ID:	36551
PubChem CID:	8008492
Reduced:	ON2S2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	320.105346
ΔH_f, kcal/mol:	9.47
Dipole, Da:	5.93
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC(=O)C1=CC=C(C=C1)C2SCCS2)C3=CC=CC=C3

DOS

IR

Vibrations