Geometry & MOs

Info

ID:	34859
PubChem CID:	7979020
Reduced:	BrOSN4C15H15 (1)
Stoich.:	ABCD4E15F15 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	56.33
Dipole, Da:	5.27
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations