Geometry & MOs

Info

ID:	141133
PubChem CID:	52822429
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	338.147786
ΔH_f, kcal/mol:	15.28
Dipole, Da:	2.83
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCCCN3C=NC4=C(N=CN=C43)N

DOS

IR

Vibrations