Geometry & MOs

Info

ID:	195705
PubChem CID:	78725681
Reduced:	ClNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	379.174336
ΔH_f, kcal/mol:	-73.97
Dipole, Da:	5.18
IP(EA), eV:	-9.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] 3-(carbamoylamino)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations