Geometry & MOs

Info

ID:	239091
PubChem CID:	93165968
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	403.229348
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	3.93
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-propan-2-yl-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)NCC

DOS

IR

Vibrations