Geometry & MOs

Info

ID:

191411

PubChem CID:

78143973

Reduced:

N4O7C41H48 (1)

Stoich.:

A4B7C41D48 (1)

Weight, g/mol:

817.430747

ΔHf, kcal/mol:

-220.47

Dipole, Da:

4.88

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-[[2-[[2-[[2-[[2-[2-methoxy-4,5-bis(2-methoxyphenyl)-1,3-dioxa-2-boranuidacyclopent-2-yl]phenyl]methylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)OC2CC(C3C(C2)OC=C(C3=O)C4=CC=C(C=C4)OC(=O)N5CCCN(CC5)CC6=CC=CC=C6)O)CC7=CC=CC=C7

DOS

IR

Vibrations