Geometry & MOs

Info

ID:	84518
PubChem CID:	49867228
Reduced:	NO7C25H33 (1)
Stoich.:	AB7C25D33 (1)
Weight, g/mol:	212.09094
ΔH_f, kcal/mol:	-276.51
Dipole, Da:	3.61
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1-yl)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2C[C@@H](C=C/C(=C/C[C@@H](C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O

DOS

IR

Vibrations