Geometry & MOs

Info

ID:	156598
PubChem CID:	56371295
Reduced:	S2N4O4C19H22 (1)
Stoich.:	A2B4C4D19E22 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	6.62
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-methylphenyl)-2-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations