Geometry & MOs

Info

ID:	191253
PubChem CID:	78123935
Reduced:	ClN2O4C28H35 (1)
Stoich.:	AB2C4D28E35 (1)
Weight, g/mol:	1430.397777
ΔH_f, kcal/mol:	-167.23
Dipole, Da:	7.76
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C(=O)NC2CCC3(CC2)CC3)C)C(C(=O)O)OC(C)(C)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations