Geometry & MOs

Info

ID:	239088
PubChem CID:	93165965
Reduced:	SO2N3C23H35 (1)
Stoich.:	AB2C3D23E35 (1)
Weight, g/mol:	417.244999
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	4.08
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(2-propan-2-ylphenoxy)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)C

DOS

IR

Vibrations