Geometry & MOs

Info

ID:

221790

PubChem CID:

85286146

Reduced:

N2S2O5H30C35 (1)

Stoich.:

A2B2C5D30E35 (1)

Weight, g/mol:

622.326754

ΔHf, kcal/mol:

-67.69

Dipole, Da:

5.65

IP(EA), eV:

 -8.73(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)SC5=CC=CC(=C5)C6=CC=CC=C6

DOS

IR

Vibrations