Geometry & MOs

Info

ID:	308555
PubChem CID:	126496984
Reduced:	IOSN4C11H17 (1)
Stoich.:	ABCD4E11F17 (1)
Weight, g/mol:	550.234507
ΔH_f, kcal/mol:	76.71
Dipole, Da:	5.17
IP(EA), eV:	-7.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylamino)phenoxy]methyl]-5-(phosphanyloxymethyl)phenyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C=NC2=C1N=CN=C2I

DOS

IR

Vibrations