Geometry & MOs

Info

ID:

416640

PubChem CID:

135089898

Reduced:

FNSO5C16H22 (1)

Stoich.:

ABCD5E16F22 (1)

Weight, g/mol:

752.313824

ΔHf, kcal/mol:

-260.22

Dipole, Da:

2.22

IP(EA), eV:

 -9.71(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-15-(1H-pyrrole-2-carbonyl)-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@@]1(CC2(CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)OC[C@@H]1O)O

DOS

IR

Vibrations