Geometry & MOs

Info

ID:	36116
PubChem CID:	7980783
Reduced:	ClNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	377.126323
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	6.44
IP(EA), eV:	-9.48(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations