Geometry & MOs

Info

ID:	61003
PubChem CID:	26704130
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	6.85
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations