Geometry & MOs

Info

ID:	239126
PubChem CID:	93166022
Reduced:	FOS2N3C24H28 (1)
Stoich.:	ABC2D3E24F28 (1)
Weight, g/mol:	391.175205
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	5.98
IP(EA), eV:	-8.49(-0.49)
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-ethylthiourea

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=S)NC3=CC=C(C=C3)F

DOS

IR

Vibrations