Geometry & MOs

Info

ID:

26312

PubChem CID:

644070

Reduced:

N4O6C33H42 (1)

Stoich.:

A4B6C33D42 (1)

Weight, g/mol:

467.303559

ΔHf, kcal/mol:

-252.07

Dipole, Da:

10.53

IP(EA), eV:

 -8.51(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N[C@@H]1CC2=C(C(=C(N2)CC3=C(C(=C(N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C

DOS

IR

Vibrations