Geometry & MOs

Info

ID:

417011

PubChem CID:

135091088

Reduced:

NO2C24H31 (1)

Stoich.:

AB2C24D31 (1)

Weight, g/mol:

715.405732

ΔHf, kcal/mol:

-82.18

Dipole, Da:

0.96

IP(EA), eV:

 -8.86(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C=C2)CN3CCC4(CC3)CC(CCO4)(C)O

DOS

IR

Vibrations