Geometry & MOs

Info

ID:	191427
PubChem CID:	78145743
Reduced:	SP3N7O17C39H64 (1)
Stoich.:	AB3C7D17E39F64 (1)
Weight, g/mol:	400.117155
ΔH_f, kcal/mol:	-718.0
Dipole, Da:	8.56
IP(EA), eV:	-9.58(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenazin-1-yl)-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O

DOS

IR

Vibrations