Geometry & MOs

Info

ID:	83851
PubChem CID:	49861812
Reduced:	SO4N5C19H35 (1)
Stoich.:	AB4C5D19E35 (1)
Weight, g/mol:	532.384937
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	6.77
IP(EA), eV:	-8.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(diaminomethylideneamino)cyclohexyl]-3-[4-[(3-nitro-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroacridin-9-yl)amino]cyclohexyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCC(CN1)NC2C3CCCCC3NC4C2CCC(C4)[N+](=O)[O-]

DOS

IR

Vibrations