Geometry & MOs

Info

ID:	175983
PubChem CID:	75978096
Reduced:	BrSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	360.046604
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	2.76
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(2,3-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations