Geometry & MOs

Info

ID:	447283
PubChem CID:	135281755
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	19.47
Dipole, Da:	6.43
IP(EA), eV:	-8.47(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-[5-[(3S)-3-amino-3-cyclopropyl-3-pyridin-4-ylpropyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NCC[C@@](C1CC1)(C2=CC=NC=C2)C3=CC(=CC=C3)N

DOS

IR

Vibrations