Geometry & MOs

Info

ID:

147895

PubChem CID:

53787554

Reduced:

S3N5O9H23C26 (1)

Stoich.:

A3B5C9D23E26 (1)

Weight, g/mol:

578.358054

ΔHf, kcal/mol:

-178.4

Dipole, Da:

10.59

IP(EA), eV:

 -8.44(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[[(3S)-3-hydroxy-6-methylheptanoyl]amino]-(2-methylbutyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)O)NN=C2C(=CC3=C(C2=O)C(=C(C(=C3)C)N=NC4=CC=C(C=C4)OS(=O)C=C)N)S(=O)(=O)O

DOS

IR

Vibrations