Geometry & MOs

Info

ID:	381314
PubChem CID:	134972009
Reduced:	S2N6O8C23H34 (1)
Stoich.:	A2B6C8D23E34 (1)
Weight, g/mol:	433.341676
ΔH_f, kcal/mol:	-124.16
Dipole, Da:	4.76
IP(EA), eV:	-9.01(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-methylphenyl)-1-oxopropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CNCCCN(CCCCN(CCCN)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations