Geometry & MOs

Info

ID:	157318
PubChem CID:	56422874
Reduced:	SF2O2N5H19C21 (1)
Stoich.:	AB2C2D5E19F21 (1)
Weight, g/mol:	405.095869
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	9.15
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)N3C=NC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations