Geometry & MOs

Info

ID:	63326
PubChem CID:	26750620
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-161.87
Dipole, Da:	7.08
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations