Geometry & MOs

Info

ID:	177968
PubChem CID:	76259078
Reduced:	OSN6C18H18 (1)
Stoich.:	ABC6D18E18 (1)
Weight, g/mol:	446.147786
ΔH_f, kcal/mol:	99.5
Dipole, Da:	3.57
IP(EA), eV:	-8.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)SC(C)C3=NC(=O)C4C=CC=CC4=N3)N=C1C)C

DOS

IR

Vibrations