Geometry & MOs

Info

ID:	424416
PubChem CID:	135122603
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	812.545186
ΔH_f, kcal/mol:	-134.52
Dipole, Da:	6.56
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecyl 2-[[4-methyl-3-[(1-oxo-3-phenyl-1-undecoxypropan-2-yl)carbamoylamino]phenyl]carbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=CC=C4

DOS

IR

Vibrations