Geometry & MOs

Info

ID:	225671
PubChem CID:	87225344
Reduced:	BrOSN3C4H4 (1)
Stoich.:	ABCD3E4F4 (1)
Weight, g/mol:	616.262103
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	2.23
IP(EA), eV:	-9.32(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-4-carbamoyl-3-methoxy-6-(trifluoromethyl)phenyl]-1-methyl-7-[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=N1)N(C(=O)N)Br

DOS

IR

Vibrations