Geometry & MOs

Info

ID:	317882
PubChem CID:	126647119
Reduced:	SN2F5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	519.235593
ΔH_f, kcal/mol:	-219.93
Dipole, Da:	1.1
IP(EA), eV:	-8.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-[5-[3-[4-(dimethylamino)phenyl]-4-nitrophenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SCC(F)(F)F)NCC(C2=CC=CC=C2F)N)F

DOS

IR

Vibrations