Geometry & MOs

Info

ID:	95796
PubChem CID:	50015092
Reduced:	SO4N7C27H39 (1)
Stoich.:	AB4C7D27E39 (1)
Weight, g/mol:	539.290783
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	4.87
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations