Geometry & MOs

Info

ID:	440845
PubChem CID:	135231838
Reduced:	SN9C26H45 (1)
Stoich.:	AB9C26D45 (1)
Weight, g/mol:	330.237939
ΔH_f, kcal/mol:	37.4
Dipole, Da:	6.5
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-[[2-[3-[methyl-[3-(methylamino)propyl]amino]propylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)NCC2=NN=C(S2)CCCNCCCNC3CCCCC3)NC4CCNCC4

DOS

IR

Vibrations