Geometry & MOs

Info

ID:	175982
PubChem CID:	75978007
Reduced:	ClOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	370.03506
ΔH_f, kcal/mol:	42.42
Dipole, Da:	0.43
IP(EA), eV:	-8.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromobenzoyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=NC(=CS1)C2=CC3=C(C=C2)N(C(=O)C3)C)N4C=C(C=N4)Cl

DOS

IR

Vibrations