Geometry & MOs

Info

ID:	176659
PubChem CID:	76080310
Reduced:	Cl2N6O6C29H32 (1)
Stoich.:	A2B6C6D29E32 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-230.56
Dipole, Da:	5.1
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-3-(1,3-thiazol-4-yl)propyl]amino]-3,5-dimethyl-6-pyridin-4-yl-3H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C1CC2=C(CN1C(=O)NC3=C(C(=CC=C3)Cl)Cl)NC4=CC=CC=C24

DOS

IR

Vibrations