Geometry & MOs

Info

ID:	402141
PubChem CID:	135054586
Reduced:	NO2S2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	507.090722
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	2.87
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl 2-[(S)-(4-chlorophenyl)-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@@H](C1=CC=CC=C1)O)C(=O)N2[C@H](CSC2=S)CC3=CC=CC=C3

DOS

IR

Vibrations