Geometry & MOs

Info

ID:	242656
PubChem CID:	97857764
Reduced:	ClF2N2O2H13C14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-123.24
Dipole, Da:	0.62
IP(EA), eV:	-10.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-fluorophenyl)-2-[[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)[C@@H](C)NC(=O)C2=C(C(=C(C=C2)F)Cl)F

DOS

IR

Vibrations