Geometry & MOs

Info

ID:

419980

PubChem CID:

135110488

Reduced:

FO2N3C18H24 (1)

Stoich.:

AB2C3D18E24 (1)

Weight, g/mol:

685.322397

ΔHf, kcal/mol:

-102.55

Dipole, Da:

4.75

IP(EA), eV:

-8.58(-0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-(1-methylimidazole-4-carbonyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C[C@@H]3COC[C@H](C2)NC3=O)C4=CC=CC=C4F

DOS

IR

Vibrations