Geometry & MOs

Info

ID:	33688
PubChem CID:	7887508
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	3.08
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C)C

DOS

IR

Vibrations