Geometry & MOs

Info

ID:	298631
PubChem CID:	117652732
Reduced:	FSO3N7C32H36 (1)
Stoich.:	ABC3D7E32F36 (1)
Weight, g/mol:	327.02185
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	6.61
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-bromo-1-(methoxymethyl)benzimidazol-2-yl]ethylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCN(C(C1)N)CC2=CN=C(C=C2)C3=CC4=NC=CC(=C4S3)OC5=C(C=C(C=C5)NC(=O)NC6CC6)F

DOS

IR

Vibrations