Geometry & MOs

Info

ID:	239108
PubChem CID:	93165993
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	403.229348
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	4.81
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2)C)C(=O)NCC

DOS

IR

Vibrations