Geometry & MOs

Info

ID:	320327
PubChem CID:	126659518
Reduced:	NO4C32H33 (1)
Stoich.:	AB4C32D33 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	4.76
IP(EA), eV:	-9.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methylamino-(4-sulfanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=NOC2C1(C2C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)O)C(CCCC6=CC=CC=C6)OC

DOS

IR

Vibrations