Geometry & MOs

Info

ID:	234709
PubChem CID:	92303354
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	6.92
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-5-(7H-purin-6-ylsulfanyl)pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C)/N1C

DOS

IR

Vibrations