Geometry & MOs

Info

ID:	447292
PubChem CID:	135281792
Reduced:	FN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-163.15
Dipole, Da:	5.88
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-[5-[(3S)-3-amino-3-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1CC(N(C1)C(=O)O)C(=O)NC2=C(C=CC(=C2)C(C[C@@H](C3CC3)N)C4=CC=NC=C4)F

DOS

IR

Vibrations