Geometry & MOs

Info

ID:	136978
PubChem CID:	52134012
Reduced:	OSN4C10H18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	360.136845
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	4.27
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[5-(2-methylpyrazol-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C=NN=C1S[C@@H](C)C(=O)N(C)C

DOS

IR

Vibrations