Geometry & MOs

Info

ID:	219240
PubChem CID:	85096681
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	472.170647
ΔH_f, kcal/mol:	-157.27
Dipole, Da:	4.85
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-amino-4-oxo-4a,5,6,7-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(C)C(=O)O

DOS

IR

Vibrations