Geometry & MOs

Info

ID:	109795
PubChem CID:	50297751
Reduced:	SO4N7C25H35 (1)
Stoich.:	AB4C7D25E35 (1)
Weight, g/mol:	529.250061
ΔH_f, kcal/mol:	-135.36
Dipole, Da:	5.84
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations