Geometry & MOs

Info

ID:

422029

PubChem CID:

135117035

Reduced:

O2N3C16H17 (1)

Stoich.:

A2B3C16D17 (1)

Weight, g/mol:

681.384997

ΔHf, kcal/mol:

-29.94

Dipole, Da:

2.81

IP(EA), eV:

 -8.83(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-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

CNC(=O)C1=C(N=CC=C1)NC2CC3=CC=CC=C3OC2

DOS

IR

Vibrations