Geometry & MOs

Info

ID:

419841

PubChem CID:

135109325

Reduced:

O2N4C19H24 (1)

Stoich.:

A2B4C19D24 (1)

Weight, g/mol:

675.34928

ΔHf, kcal/mol:

-28.67

Dipole, Da:

3.95

IP(EA), eV:

 -9.14(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2)CC(=O)NCCC3=NC=CN=C3

DOS

IR

Vibrations