Geometry & MOs

Info

ID:	181386
PubChem CID:	76740937
Reduced:	ClO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	520.164411
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	4.81
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[2-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyridin-2-yl]pyridin-2-yl]acetyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

C1CC(CC1C(=O)CC2=CC(=C(C=N2)Cl)C3=NC(=CC=C3)NCC4CCOCC4)N

DOS

IR

Vibrations