Geometry & MOs

Info

ID:	104834
PubChem CID:	50105744
Reduced:	BrO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	7.47
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-(2-methylbutanoylamino)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=CC(=C(C=C3)Br)C(=O)N

DOS

IR

Vibrations