Geometry & MOs

Info

ID:	297596
PubChem CID:	117622764
Reduced:	ClNF2O6C25H30 (1)
Stoich.:	ABC2D6E25F30 (1)
Weight, g/mol:	462.115791
ΔH_f, kcal/mol:	-359.43
Dipole, Da:	6.41
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1-yl]-3-(2,2-difluorocyclopropyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C[C@H]1CCCCO1)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)OC(F)F)OC

DOS

IR

Vibrations