Geometry & MOs

Info

ID:	131464
PubChem CID:	51209824
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	22.54
Dipole, Da:	4.11
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)CSC1=NN=C(N1CC)C2CC2)C3=CC=CC=C3

DOS

IR

Vibrations