Geometry & MOs

Info

ID:	163009
PubChem CID:	57581359
Reduced:	NO3H15C16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	555.207944
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	6.2
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-[(5-benzyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoyl]-2-methoxyphenyl]propyl acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)OCC

DOS

IR

Vibrations