Geometry & MOs

Info

ID:	423763
PubChem CID:	135120170
Reduced:	ClO5N6C30H35 (1)
Stoich.:	AB5C6D30E35 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	5.19
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations