Geometry & MOs

Info

ID:

170497

PubChem CID:

75242121

Reduced:

PN5O12C21H32 (1)

Stoich.:

AB5C12D21E32 (1)

Weight, g/mol:

640.292867

ΔHf, kcal/mol:

-539.62

Dipole, Da:

3.52

IP(EA), eV:

 -9.07(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[1-[3-amino-4-[4-[4-(2-oxoimidazolidin-1-yl)phenyl]phenyl]butanoyl]piperidin-3-yl]-4-chloroindol-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)C.C(=O)(C(=O)O)O

DOS

IR

Vibrations