Geometry & MOs

Info

ID:

84383

PubChem CID:

49866121

Reduced:

NO7C32H41 (1)

Stoich.:

AB7C32D41 (1)

Weight, g/mol:

510.236601

ΔHf, kcal/mol:

-285.99

Dipole, Da:

7.03

IP(EA), eV:

 -9.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (1R,2S,10R,13S)-10-(hydroxymethyl)-5,7,8-trimethoxy-6-methyl-12-oxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-21-carboxylate

Drug info:

PubChemData

Smile

CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)CCC4=CN=CC=C4)C)OC(=O)C

DOS

IR

Vibrations