Geometry & MOs

Info

ID:

416795

PubChem CID:

135090433

Reduced:

O2N7C19H21 (1)

Stoich.:

A2B7C19D21 (1)

Weight, g/mol:

702.337712

ΔHf, kcal/mol:

47.6

Dipole, Da:

8.35

IP(EA), eV:

-9.82(-1.11)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,6S,9S,15S)-9-benzyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-15-(hydroxymethyl)-13-(3-methylbutyl)-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

CC1=NN=NN1CC2=CC=C(C=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations