Geometry & MOs

Info

ID:

12101

PubChem CID:

130219

Reduced:

PN4O9C17H23 (1)

Stoich.:

AB4C9D17E23 (1)

Weight, g/mol:

458.120265

ΔHf, kcal/mol:

-378.51

Dipole, Da:

7.0

IP(EA), eV:

 -9.04(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,6S,7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(2-phosphonooxyethylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCOP(=O)(O)O

DOS

IR

Vibrations