Geometry & MOs

Info

ID:	169525
PubChem CID:	75117243
Reduced:	S2N4O4C23H30 (1)
Stoich.:	A2B4C4D23E30 (1)
Weight, g/mol:	545.332568
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	4.46
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[4-methyl-2-[[3-phenyl-2-(piperidine-4-carbonylamino)propanoyl]amino]pentanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCN(C2)CC3CNNC3C4=CC=CC=C4)S(=O)(=O)N5CCCC5

DOS

IR

Vibrations