Geometry & MOs

Info

ID:

311651

PubChem CID:

126596833

Reduced:

ON2H24C32 (1)

Stoich.:

AB2C24D32 (1)

Weight, g/mol:

673.23626

ΔHf, kcal/mol:

178.55

Dipole, Da:

6.17

IP(EA), eV:

 -8.06(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC(=C4C5CC6=C(C=C5)OC7=C6CCC=C7)C#N

DOS

IR

Vibrations