Geometry & MOs

Info

ID:	224800
PubChem CID:	85355377
Reduced:	SN3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	463.269573
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	4.39
IP(EA), eV:	-8.86(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-aminocyclohexyl)-4-N,6-N-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations