Geometry & MOs

Info

ID:	239094
PubChem CID:	93165972
Reduced:	SO2N3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	395.143426
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	4.72
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations