Geometry & MOs

Info

ID:

188316

PubChem CID:

77699600

Reduced:

SO6N10C46H58 (1)

Stoich.:

AB6C10D46E58 (1)

Weight, g/mol:

706.213107

ΔHf, kcal/mol:

-200.79

Dipole, Da:

2.15

IP(EA), eV:

 -8.44(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4CCC(N4C5=NC6=C(S5)CCCC6)C7=CC8=C(C=C7)N=C(N8)C9CCCN9C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations