Geometry & MOs

Info

ID:	94969
PubChem CID:	50005376
Reduced:	FO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	536.274718
ΔH_f, kcal/mol:	-201.33
Dipole, Da:	8.47
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)F)C

DOS

IR

Vibrations