Geometry & MOs

Info

ID:

146651

PubChem CID:

53724582

Reduced:

S3O6N9C17H17 (1)

Stoich.:

A3B6C9D17E17 (1)

Weight, g/mol:

496.337319

ΔHf, kcal/mol:

-52.22

Dipole, Da:

9.9

IP(EA), eV:

 -8.64(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-hydroxy-5-methylhexyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CNC(=O)ON=C(C1=CSC(=N1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)CSC4=NNN=C4)C(=O)O

DOS

IR

Vibrations