Geometry & MOs

Info

ID:	51228
PubChem CID:	12013868
Reduced:	BrN2H15C26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	471.194677
ΔH_f, kcal/mol:	135.99
Dipole, Da:	4.13
IP(EA), eV:	-8.96(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-3-benzyl-5-(1H-indol-3-yl)-2,4-diphenyl-4H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C3C=CC4=NC=NC5=C4C3=C2C=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations