Geometry & MOs

Info

ID:

187960

PubChem CID:

77648306

Reduced:

ClSN5O5C25H34 (1)

Stoich.:

ABC5D5E25F34 (1)

Weight, g/mol:

637.233697

ΔHf, kcal/mol:

-185.86

Dipole, Da:

2.64

IP(EA), eV:

 -8.92(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-ethyl-N-(2-piperidin-1-ylethyl)propanamide;formic acid

Drug info:

PubChemData

Smile

CCN(CCN(C)C)C(=O)C(C)N1CCC(C1=O)N(CC(=O)N)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl

DOS

IR

Vibrations