Geometry & MOs

Info

ID:

190818

PubChem CID:

78063124

Reduced:

SN6O7C13H22 (1)

Stoich.:

AB6C7D13E22 (1)

Weight, g/mol:

637.212589

ΔHf, kcal/mol:

-306.52

Dipole, Da:

8.09

IP(EA), eV:

 -9.05(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C(C(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)NC(=O)CN)S

DOS

IR

Vibrations