Geometry & MOs

Info

ID:	234607
PubChem CID:	92303160
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-171.62
Dipole, Da:	5.9
IP(EA), eV:	-8.01(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-ethylhexyl]-3-[(2S)-3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N2CCC[C@H](C2)C(=O)OCC

DOS

IR

Vibrations