Geometry & MOs

Info

ID:	196759
PubChem CID:	78874681
Reduced:	BrSN3O3C15H22 (1)
Stoich.:	ABC3D3E15F22 (1)
Weight, g/mol:	422.132509
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	5.31
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)C)Br

DOS

IR

Vibrations