Geometry & MOs

Info

ID:	239093
PubChem CID:	93165970
Reduced:	SO2N3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	403.229348
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	4.33
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C(C)C)C(=O)NC(C)C

DOS

IR

Vibrations