Geometry & MOs

Info

ID:	178439
PubChem CID:	76331061
Reduced:	O10C27H32 (1)
Stoich.:	A10B27C32 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-422.67
Dipole, Da:	2.66
IP(EA), eV:	-10.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1C[C@@H]([C@@H]([C@@]2([C@]13[C@@H]([C@@H](C(=O)[C@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)O)OC(=O)C)C(=O)C

DOS

IR

Vibrations