Geometry & MOs

Info

ID:

443383

PubChem CID:

135258796

Reduced:

SO3N7C27H33 (1)

Stoich.:

AB3C7D27E33 (1)

Weight, g/mol:

528.16213

ΔHf, kcal/mol:

-71.76

Dipole, Da:

7.54

IP(EA), eV:

 -8.41(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(2R,3R,4R)-4-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3=C4C5=C(C[C@H](CC5)C(=O)N6CCC(C6)N(C)C)SC4=NC=N3)(C)C

DOS

IR

Vibrations