Geometry & MOs

Info

ID:	190542
PubChem CID:	78018766
Reduced:	N2O6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	526.180364
ΔH_f, kcal/mol:	-280.56
Dipole, Da:	3.78
IP(EA), eV:	-10.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-[5-[(4-phosphanylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yl-3H-pyrido[1,2-a]pyrazine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(C(OC1N2CCC(=O)NC2=O)CO)O)O

DOS

IR

Vibrations