Geometry & MOs

Info

ID:	187078
PubChem CID:	77529244
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	550.233346
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	8.28
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 3-[3-butoxy-4-[2-[3-chloro-4-(2-methoxyethoxymethoxy)phenyl]ethoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C2CC(NC(=O)N2)C3=CC=C(C=C3)C(=O)NCCN4CCCC4)C=CC1=O

DOS

IR

Vibrations