Geometry & MOs

Info

ID:	381980
PubChem CID:	134972871
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	6.43
IP(EA), eV:	-9.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N=CC(=O)OC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations