Geometry & MOs

Info

ID:	43403
PubChem CID:	10321242
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	5.06
IP(EA), eV:	-9.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[(3,4-dimethylbenzoyl)amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C/C(=N\OC(C1=CC=CC=C1)C2=CN=CC=C2)/CC3CCC4=C(C3)C=CC=C4OCC(=O)O

DOS

IR

Vibrations