Geometry & MOs

Info

ID:

191552

PubChem CID:

78162944

Reduced:

BrSO2N4C22H30 (1)

Stoich.:

ABC2D4E22F30 (1)

Weight, g/mol:

480.153675

ΔHf, kcal/mol:

47.09

Dipole, Da:

8.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.132463

Charge, e:

 0

Chem-info

IUPAC name:

methyl 13-(4-methoxyphenyl)-5,5,7,7-tetramethyl-6,17-dioxa-13,14-diaza-5,7-disilapentacyclo[9.5.1.02,10.04,8.012,16]heptadeca-2,4(8),9,14-tetraene-15-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(C[N+](C)(C)CC1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations