Geometry & MOs

Info

ID:	431689
PubChem CID:	135171785
Reduced:	O2S2F6N7C26H31 (1)
Stoich.:	A2B2C6D7E26F31 (1)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-305.54
Dipole, Da:	7.51
IP(EA), eV:	-9.17(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diamino-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]butanimidamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C3=NC(=NS3)C(F)(F)F)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations