Geometry & MOs

Info

ID:	176583
PubChem CID:	76069476
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	508.145027
ΔH_f, kcal/mol:	-259.77
Dipole, Da:	5.57
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2-amino-3-sulfanylpropyl)amino]-6-[2-[(1-carboxy-3-methylsulfanylpropyl)amino]-2-oxoethoxy]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)OC(C(C2OC3CCNC(=O)C3)O)(C)C

DOS

IR

Vibrations