Geometry & MOs

Info

ID:	43497
PubChem CID:	10321391
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	447.15764
ΔH_f, kcal/mol:	-208.34
Dipole, Da:	4.79
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-[3-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)propyl]thiophene-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN(C1=CC2=CC(=C1)C(=O)N[C@@H](CC3=CC(=CC=C3)OCCNC2=O)CO)S(=O)(=O)C

DOS

IR

Vibrations