Geometry & MOs

Info

ID:	158857
PubChem CID:	57244097
Reduced:	O3N5C22H44 (1)
Stoich.:	A3B5C22D44 (1)
Weight, g/mol:	627.258065
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	18.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.837312
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S,5S)-2-oxo-5-[[7-(N'-phenylmethoxycarbonylcarbamimidoyl)-9H-fluoren-2-yl]oxymethyl]pyrrolidin-3-yl]acetyl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(CC1(N=NN=N1)C(=O)O)C[N+](C)(C)C

DOS

IR

Vibrations