Geometry & MOs

Info

ID:

219956

PubChem CID:

85165084

Reduced:

SiF3N4O6C29H36 (1)

Stoich.:

AB3C4D6E29F36 (1)

Weight, g/mol:

622.326754

ΔHf, kcal/mol:

-393.51

Dipole, Da:

2.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.893267

Charge, e:

 0

Chem-info

IUPAC name:

2-(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

CC(C)C(C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)C[N+]1=CC=C2C(=NC(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C1=O

DOS

IR

Vibrations