Geometry & MOs

Info

ID:	135976
PubChem CID:	51961887
Reduced:	NOSC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	438.049019
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	1.64
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[(3S,8aS)-8a-methyl-5-oxo-3,8-dihydro-2H-[1,3]thiazolo[2,3-c][1,4]thiazine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)NC(=O)C2=CC=C(C=C2)C3SCCS3

DOS

IR

Vibrations