Geometry & MOs

Info

ID:	72395
PubChem CID:	48416127
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-143.18
Dipole, Da:	5.28
IP(EA), eV:	-8.95(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(quinoline-8-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CSC=C2)C(=O)OC

DOS

IR

Vibrations