Geometry & MOs

Info

ID:	137930
PubChem CID:	52285594
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-125.83
Dipole, Da:	4.65
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-hydroxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)[C@H]3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations