Geometry & MOs

Info

ID:	237009
PubChem CID:	92716762
Reduced:	N2S2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	386.11227
ΔH_f, kcal/mol:	-62.18
Dipole, Da:	5.93
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-N-[(2,5-dimethylphenyl)methyl]-5,5-dioxo-N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC2=C(C=CC(=C2)C)C)C3=N[C@@H]4CS(=O)(=O)C[C@H]4S3

DOS

IR

Vibrations