Geometry & MOs

Info

ID:	447215
PubChem CID:	135281238
Reduced:	ClSN5O5C24H26 (1)
Stoich.:	ABC5D5E24F26 (1)
Weight, g/mol:	289.97092
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	9.23
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-bromo-2-(5-chloro-2-ethyl-4-methoxyphenyl)acetaldehyde

Drug info:

PubChemData

Smile

CN1C=CN=C1S(=O)(=O)N2CCC(CC2)OC3=CC4=NC(=CN4C=C3)C5=CC(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations