Geometry & MOs

Info

ID:

127762

PubChem CID:

51014323

Reduced:

SN2O6C28H30 (1)

Stoich.:

AB2C6D28E30 (1)

Weight, g/mol:

305.235479

ΔHf, kcal/mol:

-184.67

Dipole, Da:

5.13

IP(EA), eV:

 -7.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3R,6S,8S,10R,11R,14S,16R)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(N3)[C@@H]5C[C@@H]6[C@@H](C[C@H]7[C@@H]([C@@H]6C(=O)O7)OC)CN5CC4

DOS

IR

Vibrations