Geometry & MOs

Info

ID:	191753
PubChem CID:	78184107
Reduced:	SN3O5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	590.20465
ΔH_f, kcal/mol:	-131.98
Dipole, Da:	5.92
IP(EA), eV:	-9.18(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-amino-3-oxopropyl)-4-[2-(methanesulfonamido)-3-oxo-3-(pentylamino)propyl]-N-oxaloanilino]benzoic acid

Drug info:

PubChemData

Smile

C1COCC2=NC(=CN21)C3C(=CN=C(CS3)C(=O)O)C(=O)O

DOS

IR

Vibrations