Geometry & MOs

Info

ID:	214927
PubChem CID:	85083865
Reduced:	N2P2O6C33H60 (1)
Stoich.:	A2B2C6D33E60 (1)
Weight, g/mol:	642.462125
ΔH_f, kcal/mol:	-432.49
Dipole, Da:	1.63
IP(EA), eV:	-9.17(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(7-aminoheptyl)-1-(6-aminohexyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(CCCC(N=C1CC2CCC1(C2(C)C)C)P(=O)(OCC)OCC)N=C3CC4CCC3(C4(C)C)C)OCC

DOS

IR

Vibrations