Geometry & MOs

Info

ID:

7106

PubChem CID:

71226

Reduced:

SN6O7C31H40 (1)

Stoich.:

AB6C7D31E40 (1)

Weight, g/mol:

640.267919

ΔHf, kcal/mol:

-268.85

Dipole, Da:

2.93

IP(EA), eV:

 -9.23(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide

Drug info:

PubChemData

Smile

C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCNC=O)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations