Geometry & MOs

Info

ID:	53726
PubChem CID:	14717813
Reduced:	SO12N14C53H68 (1)
Stoich.:	AB12C14D53E68 (1)
Weight, g/mol:	247.850628
ΔH_f, kcal/mol:	-442.82
Dipole, Da:	16.09
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

Smile

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

DOS

IR

Vibrations