Geometry & MOs

Info

ID:	429340
PubChem CID:	135169314
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	617.285635
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	1.18
IP(EA), eV:	-8.34(2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[5-(diaminomethylideneamino)pentanoylamino]pentanediamide

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C(C)C)C(C)C

DOS

IR

Vibrations