Geometry & MOs

Info

ID:	25190
PubChem CID:	620923
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	514.351906
ΔH_f, kcal/mol:	-93.98
Dipole, Da:	3.06
IP(EA), eV:	-8.55(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[2-[3-[4-(diethylamino)phenyl]prop-2-enylideneamino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(=NOC)C2O)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations