Geometry & MOs

Info

ID:	58006
PubChem CID:	24398210
Reduced:	ClS2N3O3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	417.000861
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	4.49
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations