Geometry & MOs

Info

ID:	186311
PubChem CID:	77419088
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	625.239262
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	6.19
IP(EA), eV:	-8.84(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylsulfonylamino)-N-(1-hydroxy-3-phenyl-1-pyrrolidin-2-ylpropan-2-yl)-5-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

C=CCOC1CN(CC1NC(=O)CN)C2CCOCC2

DOS

IR

Vibrations