Geometry & MOs

Info

ID:	383015
PubChem CID:	134974502
Reduced:	SiO4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	402.94664
ΔH_f, kcal/mol:	-235.35
Dipole, Da:	0.77
IP(EA), eV:	-9.02(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)prop-2-ynyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H]([C@H](C1=CC=CC=C1)O)O

DOS

IR

Vibrations