Geometry & MOs

Info

ID:

17418

PubChem CID:

497274

Reduced:

S2N4O6C27H32 (1)

Stoich.:

A2B4C6D27E32 (1)

Weight, g/mol:

572.176327

ΔHf, kcal/mol:

-214.3

Dipole, Da:

2.76

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4S)-7-amino-4-[[(2S)-2-[3-(1,3-dithiolane-2-carbonylamino)-2-oxopyridin-1-yl]-3-phenylpropanoyl]amino]-7-oxohept-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=C[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C3SCCS3

DOS

IR

Vibrations