Geometry & MOs

Info

ID:

160148

PubChem CID:

57304862

Reduced:

SN5O5C33H45 (1)

Stoich.:

AB5C5D33E45 (1)

Weight, g/mol:

448.123028

ΔHf, kcal/mol:

-190.02

Dipole, Da:

5.87

IP(EA), eV:

 -9.02(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2S,3S,5R)-3-hydroxy-5-[4-(2-hydroxy-3-nitroanilino)-2-oxopyrimidin-1-yl]oxolan-2-yl]-2-oxopropyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](CC3CCCCC3)[C@@H](C4=CC=CS4)O

DOS

IR

Vibrations