Geometry & MOs

Info

ID:	140695
PubChem CID:	52741589
Reduced:	SN2O3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	442.111791
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	6.56
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)CNC(=O)C3=CSC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations