Geometry & MOs

Info

ID:

436699

PubChem CID:

135207731

Reduced:

N4O7C38H40 (1)

Stoich.:

A4B7C38D40 (1)

Weight, g/mol:

763.358114

ΔHf, kcal/mol:

-212.54

Dipole, Da:

7.69

IP(EA), eV:

 -9.11(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyanoheptan-2-yl N-[4-(diethylcarbamoyl)phenyl]-N-[(10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl)oxymethyl]carbamate

Drug info:

PubChemData

Smile

CCCCC(CC#N)OC(=O)N(COC1=CC2=C(C=C1)N=C3C(=C2CC)CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)C6=CC=C(C=C6)C

DOS

IR

Vibrations