Geometry & MOs

Info

ID:	244149
PubChem CID:	99319112
Reduced:	SF2N3O5C20H21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	445.138402
ΔH_f, kcal/mol:	-248.45
Dipole, Da:	4.61
IP(EA), eV:	-9.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations