Geometry & MOs

Info

ID:	417537
PubChem CID:	135099608
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-43.31
Dipole, Da:	3.49
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCCC1=CN=CC=C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations