Geometry & MOs

Info

ID:	347376
PubChem CID:	127272225
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	2.56
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=N2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations