Geometry & MOs

Info

ID:	297595
PubChem CID:	117622741
Reduced:	ClN3O7C31H32 (1)
Stoich.:	AB3C7D31E32 (1)
Weight, g/mol:	513.172972
ΔH_f, kcal/mol:	-223.45
Dipole, Da:	6.23
IP(EA), eV:	-9.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-[(2R)-oxan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)NC(=O)C(CC2COCCO2)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C#N)OC

DOS

IR

Vibrations