Geometry & MOs

Info

ID:	156652
PubChem CID:	56371543
Reduced:	S2O4N5C21H31 (1)
Stoich.:	A2B4C5D21E31 (1)
Weight, g/mol:	405.109331
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	3.41
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)C)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations