Geometry & MOs

Info

ID:	56381
PubChem CID:	17425267
Reduced:	SN2O2F4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-239.47
Dipole, Da:	4.32
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SC(F)F)C(=O)NCCC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations