Geometry & MOs

Info

ID:

44982

PubChem CID:

10506995

Reduced:

S2N6O9C20H24 (1)

Stoich.:

A2B6C9D20E24 (1)

Weight, g/mol:

556.264548

ΔHf, kcal/mol:

-262.8

Dipole, Da:

2.61

IP(EA), eV:

 -8.92(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-4-methyl-1-oxo-1-[2-[[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]carbamoyl]hydrazinyl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)OC(=O)N

DOS

IR

Vibrations