Geometry & MOs

Info

ID:

320993

PubChem CID:

126664369

Reduced:

ClSO3F5N6C29H32 (1)

Stoich.:

ABC3D5E6F29G32 (1)

Weight, g/mol:

412.211055

ΔHf, kcal/mol:

-267.43

Dipole, Da:

7.19

IP(EA), eV:

 -8.63(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(4-methoxyphenyl)-1-[2-[(2S)-2-(methylamino)-3-phenylpropanoyl]hydrazinyl]-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC(=C(C=C4)Cl)F)C5=CN=C(N=C5)C(F)(F)F)N)S(C1)(O)O

DOS

IR

Vibrations