Geometry & MOs

Info

ID:	302599
PubChem CID:	124385252
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	467.093326
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	1.98
IP(EA), eV:	-9.94(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-[2-[(6R)-2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)[C@@H](C)O

DOS

IR

Vibrations