Geometry & MOs

Info

ID:	135035
PubChem CID:	51801813
Reduced:	N2O3C29H36 (1)
Stoich.:	A2B3C29D36 (1)
Weight, g/mol:	512.06098
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	4.2
IP(EA), eV:	-9.11(0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-1-(4-bromophenyl)-5-[[1-[(2-methylphenyl)methyl]indol-3-yl]methylidene]-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N(CC2=CC=C(O2)C)[C@H](C3=CC=C(C=C3)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations