Geometry & MOs

Info

ID:	154787
PubChem CID:	56314312
Reduced:	ClFSN2O4C23H28 (1)
Stoich.:	ABCD2E4F23G28 (1)
Weight, g/mol:	461.16856
ΔH_f, kcal/mol:	-189.98
Dipole, Da:	6.62
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C)(C)C3=CC=CC=C3F)Cl

DOS

IR

Vibrations