Geometry & MOs

Info

ID:

59119

PubChem CID:

24771062

Reduced:

SO15N16C44H78 (1)

Stoich.:

AB15C16D44E78 (1)

Weight, g/mol:

423.149087

ΔHf, kcal/mol:

-743.1

Dipole, Da:

5.34

IP(EA), eV:

 -8.71(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(3-amino-3-oxopropyl)-dimethyl-(1-naphthalen-1-ylsulfonylindazol-4-yl)azanium

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(C)C)N)O

DOS

IR

Vibrations