Geometry & MOs

Info

ID:

418188

PubChem CID:

135103786

Reduced:

O3N4C17H22 (1)

Stoich.:

A3B4C17D22 (1)

Weight, g/mol:

753.309073

ΔHf, kcal/mol:

-52.2

Dipole, Da:

3.69

IP(EA), eV:

 -8.54(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-(1H-imidazole-5-carbonyl)-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)N(C)CC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations