Geometry & MOs

Info

ID:	179460
PubChem CID:	76486084
Reduced:	SN5O7C30H44 (1)
Stoich.:	AB5C7D30E44 (1)
Weight, g/mol:	599.253255
ΔH_f, kcal/mol:	-286.38
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825944
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(diaminomethyl)-3,5,7-trioxo-1,8-diphenyl-8-pyridin-2-yloctan-2-yl]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

CC1CCC[N+]1(C(=O)C(CCC(=O)N)N(CCCCNC(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N

DOS

IR

Vibrations