Geometry & MOs

Info

ID:	297594
PubChem CID:	117622702
Reduced:	BrClN2O3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	593.192878
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.92
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CN=CC=C1)N2C=CC(=CC2=O)C3=C(C=CC(=C3)Cl)Br

DOS

IR

Vibrations