Geometry & MOs

Info

ID:	65445
PubChem CID:	38671648
Reduced:	BrN3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	392.97828
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	4.3
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 5-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C(=O)NC(=O)N)OC(=O)C2=CC3=C(N2)C=CC(=C3)Br

DOS

IR

Vibrations