Geometry & MOs

Info

ID:

221705

PubChem CID:

85286059

Reduced:

BrN2O3H33C35 (1)

Stoich.:

AB2C3D33E35 (1)

Weight, g/mol:

609.26863

ΔHf, kcal/mol:

-36.4

Dipole, Da:

2.36

IP(EA), eV:

 -8.75(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-amino-4-[bis(4-methoxyphenyl)methylamino]-4-oxobutanoyl]amino]-2-(3,5-dihydroxy-4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)CC(CO)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations