Geometry & MOs

Info

ID:	44019
PubChem CID:	10322926
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	480.184956
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	6.36
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoate

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CN(C4)C)N=C3

DOS

IR

Vibrations