Geometry & MOs

Info

ID:	145340
PubChem CID:	53503179
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	1.87
IP(EA), eV:	-9.52(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(OC1)COCCCNC(=O)C2=NOC(=C2)C3=CC=CO3

DOS

IR

Vibrations