Geometry & MOs

Info

ID:	261753
PubChem CID:	103249489
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	310.97688
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(3,4,5-trifluoroanilino)propanoate

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)SC=C2)NCC3=CC=C(C=C3)CC(=O)O

DOS

IR

Vibrations