Geometry & MOs

Info

ID:	33497
PubChem CID:	7886735
Reduced:	OS2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	374.121275
ΔH_f, kcal/mol:	27.26
Dipole, Da:	2.11
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-fluorophenyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations