Geometry & MOs

Info

ID:	328884
PubChem CID:	126728727
Reduced:	ClN5O7C21H28 (1)
Stoich.:	AB5C7D21E28 (1)
Weight, g/mol:	445.267567
ΔH_f, kcal/mol:	-313.41
Dipole, Da:	10.62
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-methylpropyl) 4-[3-(2-methylpropoxy)-3-oxopropyl]-4-nitroheptanedioate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(N1C)CNC(=O)CCNC(=O)CCNC(=O)CCN2C(=O)CC(C2=O)Cl)O

DOS

IR

Vibrations