Geometry & MOs

Info

ID:

179374

PubChem CID:

76473931

Reduced:

SN4O6C42H66 (1)

Stoich.:

AB4C6D42E66 (1)

Weight, g/mol:

544.22974

ΔHf, kcal/mol:

-310.48

Dipole, Da:

6.14

IP(EA), eV:

 -9.21(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-amino-1-(benzylamino)-2-methyl-1-oxopentan-2-yl]-(2-amino-3-naphthalen-1-ylpropanoyl)amino] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)NC(CC3CCCCC3)C(CC(C4CCCCC4)C5CCCCC5)O)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations