Geometry & MOs

Info

ID:	85790
PubChem CID:	49879153
Reduced:	SN2O2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	437.04874
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	8.07
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-[(4-bromophenyl)methyl]-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]indol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)S3

DOS

IR

Vibrations