Geometry & MOs

Info

ID:

54151

PubChem CID:

14720402

Reduced:

SN5O9C41H57 (1)

Stoich.:

AB5C9D41E57 (1)

Weight, g/mol:

653.264998

ΔHf, kcal/mol:

-378.11

Dipole, Da:

4.35

IP(EA), eV:

 -9.28(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)CO)NC(=O)OCC(C)C

DOS

IR

Vibrations