Geometry & MOs

Info

ID:	49723
PubChem CID:	11533664
Reduced:	ON4C33H48 (1)
Stoich.:	AB4C33D48 (1)
Weight, g/mol:	516.03289
ΔH_f, kcal/mol:	5.7
Dipole, Da:	7.59
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]-3-thiophen-3-ylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C#CCCC)C3CCN(CC3)CC4=CN=CN4

DOS

IR

Vibrations