Geometry & MOs

Info

ID:	435042
PubChem CID:	135178532
Reduced:	N3O8C39H41 (1)
Stoich.:	A3B8C39D41 (1)
Weight, g/mol:	448.159414
ΔH_f, kcal/mol:	-216.88
Dipole, Da:	3.38
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 1-[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]propan-2-yl carbonate

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C(=O)N(C3=O)OC(=O)CCC(=O)OCCOC(=O)N4CCN(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations