Geometry & MOs

Info

ID:	104786
PubChem CID:	50105498
Reduced:	ClO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	511.259483
ΔH_f, kcal/mol:	-166.34
Dipole, Da:	5.69
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-fluorophenyl)-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations