Geometry & MOs

Info

ID:	47029
PubChem CID:	10529026
Reduced:	NO2C15H18 (2)
Stoich.:	AB2C15D18 (2)
Weight, g/mol:	488.143964
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	2.43
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate

Drug info:

PubChemData

Smile

CCOC(=O)CC/C(=N/OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C

DOS

IR

Vibrations