Geometry & MOs

Info

ID:

151525

PubChem CID:

53837758

Reduced:

ClSO4N8C27H33 (1)

Stoich.:

ABC4D8E27F33 (1)

Weight, g/mol:

600.2034

ΔHf, kcal/mol:

-36.4

Dipole, Da:

5.55

IP(EA), eV:

 -9.17(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]sulfonyl-ethylamino]-3-phenyl-N-(2H-tetrazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)N(CC)[C@H](CC3=CC=CC=C3)C(=O)NC4=NNN=N4)CO)Cl

DOS

IR

Vibrations