Geometry & MOs

Info

ID:	194415
PubChem CID:	78532331
Reduced:	OSN6C15H16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	388.082599
ΔH_f, kcal/mol:	88.52
Dipole, Da:	5.14
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

DOS

IR

Vibrations