Geometry & MOs

Info

ID:	219625
PubChem CID:	85154881
Reduced:	SSiN2O3C28H42 (1)
Stoich.:	ABC2D3E28F42 (1)
Weight, g/mol:	520.14739
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	5.83
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-benzyl-3-imidazol-1-ylpropyl)-3-(3-bromophenyl)-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CC=C2C=CC(C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations