Geometry & MOs

Info

ID:	239124
PubChem CID:	93166020
Reduced:	OS2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	457.165783
ΔH_f, kcal/mol:	-11.14
Dipole, Da:	7.03
IP(EA), eV:	-8.24(-0.67)
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-(4-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations