Geometry & MOs

Info

ID:	239109
PubChem CID:	93165997
Reduced:	SO2N3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	4.49
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations