Geometry & MOs

Info

ID:	186618
PubChem CID:	77456048
Reduced:	FO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	412.191069
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	5.16
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2-anilino-3-cyano-4-fluoroanilino)-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CNC(=O)OC(C)(C)C)C1=NC2=C(N1C3=CC=CC=C3)C=C(C=C2)F

DOS

IR

Vibrations