Geometry & MOs

Info

ID:	156480
PubChem CID:	56370782
Reduced:	OSN4C22H32 (1)
Stoich.:	ABC4D22E32 (1)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	7.77
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations