Geometry & MOs

Info

ID:

380234

PubChem CID:

134970612

Reduced:

SN2O13C22H34 (1)

Stoich.:

AB2C13D22E34 (1)

Weight, g/mol:

657.220359

ΔHf, kcal/mol:

-560.67

Dipole, Da:

3.12

IP(EA), eV:

 -9.27(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-[(2S)-3-(methoxycarbonylamino)-1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]sulfanyl-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)S[C@@](C)(CNC(=O)OC)C(=O)N(C)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations