Geometry & MOs

Info

ID:	184669
PubChem CID:	77190899
Reduced:	BrO2N3C27H34 (1)
Stoich.:	AB2C3D27E34 (1)
Weight, g/mol:	602.326834
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	5.53
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[3-[5-fluoro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Br)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3CCCOC

DOS

IR

Vibrations