Geometry & MOs

Info

ID:

423921

PubChem CID:

135120757

Reduced:

O2N4C19H30 (1)

Stoich.:

A2B4C19D30 (1)

Weight, g/mol:

739.329808

ΔHf, kcal/mol:

-73.65

Dipole, Da:

6.98

IP(EA), eV:

 -8.73(-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-imidazol-5-ylmethyl)-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

C[C@@H]1CN(C[C@@H](O1)C)CCCNC2=NC=CC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations