Geometry & MOs

Info

ID:	185159
PubChem CID:	77263409
Reduced:	SO3N4C28H42 (1)
Stoich.:	AB3C4D28E42 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	4.82
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCCC1=C(N=CS1)CC(C(CNC2CC3(CCC3)OC4=C2C=C(C=N4)CC(C)(C)C)O)NC(=O)C

DOS

IR

Vibrations