Geometry & MOs

Info

ID:

422077

PubChem CID:

135117137

Reduced:

O3N5C18H29 (1)

Stoich.:

A3B5C18D29 (1)

Weight, g/mol:

730.369013

ΔHf, kcal/mol:

-116.77

Dipole, Da:

5.12

IP(EA), eV:

 -8.2(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15R)-9-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-13-(2-methoxyethyl)-15-(2-methylpropyl)-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(C=C1NC(=O)CN2CCC[C@]3([C@H]2CN(CC3)C(=O)C)CO)C

DOS

IR

Vibrations