Geometry & MOs

Info

ID:

168546

PubChem CID:

74986139

Reduced:

N13O15C55H77 (1)

Stoich.:

A13B15C55D77 (1)

Weight, g/mol:

613.362805

ΔHf, kcal/mol:

-661.65

Dipole, Da:

9.84

IP(EA), eV:

 -9.4(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-N-[1-[[1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations