Geometry & MOs

Info

ID:	105050
PubChem CID:	50106241
Reduced:	ClN5O5C30H38 (1)
Stoich.:	AB5C5D30E38 (1)
Weight, g/mol:	507.284555
ΔH_f, kcal/mol:	-192.14
Dipole, Da:	7.95
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations