Geometry & MOs

Info

ID:	69180
PubChem CID:	46530341
Reduced:	O3N5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	493.129215
ΔH_f, kcal/mol:	63.73
Dipole, Da:	7.26
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=CC=C2C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations