Geometry & MOs

Info

ID:

146921

PubChem CID:

53772450

Reduced:

N2C39H53 (1)

Stoich.:

A2B39C53 (1)

Weight, g/mol:

781.223136

ΔHf, kcal/mol:

28.52

Dipole, Da:

1.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.690961

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 4-[1-[bis(4-methoxyphenyl)methyl]-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxobutanoate

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCC)(C)C

DOS

IR

Vibrations