Geometry & MOs

Info

ID:

167459

PubChem CID:

74830467

Reduced:

FOSN2H19C21 (1)

Stoich.:

ABCD2E19F21 (1)

Weight, g/mol:

818.361558

ΔHf, kcal/mol:

-21.04

Dipole, Da:

2.0

IP(EA), eV:

 -9.02(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 4-[3-[bis(2-methylpropanoyloxymethoxy)phosphoryl]-2-[[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=CC3=CC=C(C=C3)C4=CC(=CC=C4)F)NC2=S

DOS

IR

Vibrations