Geometry & MOs

Info

ID:	127542
PubChem CID:	51005693
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	6.91
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[(1S,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NO[C@@H]3[C@H]2[C@@H]4C[C@H]3[C@@H]5[C@H]4C(=O)N(C5=O)CC(=O)O

DOS

IR

Vibrations