Geometry & MOs

Info

ID:

16812

PubChem CID:

477077

Reduced:

BrPN7O9C29H33 (1)

Stoich.:

ABC7D9E29F33 (1)

Weight, g/mol:

733.12608

ΔHf, kcal/mol:

-220.0

Dipole, Da:

4.71

IP(EA), eV:

 -8.77(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-bromo-6-methoxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC)OC5=CC=CC=C5)N=[N+]=[N-])OC)Br

DOS

IR

Vibrations