Geometry & MOs

Info

ID:	239087
PubChem CID:	93165964
Reduced:	SN2O5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	417.244999
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	5.0
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-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=C(C=CC=C2OC)OC)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations