Geometry & MOs

Info

ID:	179393
PubChem CID:	76476081
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	571.166473
ΔH_f, kcal/mol:	1.11
Dipole, Da:	1.29
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-3-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid

Drug info:

PubChemData

Smile

CCCCCONC=CC1=CC=CC=C1

DOS

IR

Vibrations