Geometry & MOs

Info

ID:

170862

PubChem CID:

75287172

Reduced:

N3O4C21H23 (1)

Stoich.:

A3B4C21D23 (1)

Weight, g/mol:

617.20732

ΔHf, kcal/mol:

-125.83

Dipole, Da:

6.18

IP(EA), eV:

 -8.94(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-15-methyl-4,13,15-triazapentacyclo[12.7.0.01,6.07,12.016,21]henicosa-7,9,11,16(21),17,19-hexaen-5-one

Drug info:

PubChemData

Smile

CC1CC(=O)N(C(N1)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3C(=O)OC

DOS

IR

Vibrations