Geometry & MOs

Info

ID:	245170
PubChem CID:	99437724
Reduced:	ClO3N4C27H27 (1)
Stoich.:	AB3C4D27E27 (1)
Weight, g/mol:	487.221954
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	7.22
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[4-(benzylamino)-3-nitrobenzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations