Geometry & MOs

Info

ID:	100233
PubChem CID:	50059319
Reduced:	BrO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	575.229932
ΔH_f, kcal/mol:	-113.64
Dipole, Da:	11.84
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(propanoylamino)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC

DOS

IR

Vibrations