Geometry & MOs

Info

ID:

220695

PubChem CID:

85202975

Reduced:

S2N9O9C30H43 (1)

Stoich.:

A2B9C9D30E43 (1)

Weight, g/mol:

737.411212

ΔHf, kcal/mol:

-374.35

Dipole, Da:

8.96

IP(EA), eV:

 -9.18(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-(7-azidoheptanoylamino)-3-phenylmethoxypropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CC2C(=O)NC(CSSCC(C(=O)NC(C(=O)N2C1)CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=CC=C3)N)C(=O)O

DOS

IR

Vibrations