Geometry & MOs

Info

ID:

311645

PubChem CID:

126596729

Reduced:

SN3H29C44 (1)

Stoich.:

AB3C29D44 (1)

Weight, g/mol:

734.245115

ΔHf, kcal/mol:

224.68

Dipole, Da:

2.69

IP(EA), eV:

 -8.2(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,4S,11S)-18-(dimethoxymethyl)-4-(dimethylamino)-11,14-dihydroxy-8,16-bis(phenylmethoxy)-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,13,15,17,19-hexaene-10,12-dione

Drug info:

PubChemData

Smile

CC12C=CC3=C(C1N(C4=CC=CC=C24)C5=CC=CC=C5)SC6=C3C=CC=C6C7=C(C=CC=C7N8C9=CC=CC=C9C1=CC=CC=C18)C#N

DOS

IR

Vibrations