Geometry & MOs

Info

ID:	53796
PubChem CID:	14717958
Reduced:	ON3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	64.55
Dipole, Da:	4.0
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC2=N[C@@H]([C@@H](N=C2C=C1)C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations