Geometry & MOs

Info

ID:	431005
PubChem CID:	135171075
Reduced:	FN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	522.264234
ΔH_f, kcal/mol:	-199.6
Dipole, Da:	1.72
IP(EA), eV:	-8.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[1H-benzimidazole-2-carbonyl(ethyl)amino]oxan-3-yl]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CCNC1CC(COC1)N([C@@H]2CCC3=C2C=CC(=C3)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations