Geometry & MOs

Info

ID:	245113
PubChem CID:	99437521
Reduced:	O4N5H17C22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	5.89
IP(EA), eV:	-9.24(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C=CC(=N5)C(=O)N

DOS

IR

Vibrations