Geometry & MOs

Info

ID:	105522
PubChem CID:	50111176
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	529.250061
ΔH_f, kcal/mol:	-130.23
Dipole, Da:	9.39
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations