Geometry & MOs

Info

ID:	302138
PubChem CID:	124349669
Reduced:	SN3O6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	419.10704
ΔH_f, kcal/mol:	-213.11
Dipole, Da:	4.69
IP(EA), eV:	-9.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N-[(4-chlorophenyl)methyl]-2-[[(2R)-2-methylbutanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=C(OC=C4)C

DOS

IR

Vibrations