Geometry & MOs

Info

ID:	44463
PubChem CID:	10503666
Reduced:	ClO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	448.11246
ΔH_f, kcal/mol:	26.44
Dipole, Da:	8.86
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[4-(dimethylamino)phenyl]-1-[4-(naphthalen-2-ylamino)-1,3-thiazol-2-yl]azetidin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)Cl)[C@@H](C3=C1C=CC=N3)N4CCN(CC4)C(=O)CC5=C[N+](=CC=C5)[O-]

DOS

IR

Vibrations