Geometry & MOs

Info

ID:	381250
PubChem CID:	134971926
Reduced:	BrSO3N4C18H23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	1.92
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CSC(=N1)C2=C(N=C(C=C2)Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations