Geometry & MOs

Info

ID:	267980
PubChem CID:	103592587
Reduced:	ClFSN2O2H12C13 (1)
Stoich.:	ABCD2E2F12G13 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	6.67
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)N=C(N2CC(=C)Cl)SCC(=O)O

DOS

IR

Vibrations