Geometry & MOs

Info

ID:	239125
PubChem CID:	93166021
Reduced:	FOS2N3C24H28 (1)
Stoich.:	ABC2D3E24F28 (1)
Weight, g/mol:	457.165783
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	7.4
IP(EA), eV:	-8.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-1-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-(4-fluorophenyl)thiourea

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