Geometry & MOs

Info

ID:	79686
PubChem CID:	49829980
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	2.78
IP(EA), eV:	-8.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CSC(=N3)C

DOS

IR

Vibrations