Geometry & MOs

Info

ID:	329525
PubChem CID:	126737819
Reduced:	PN2S2O3C65H136 (1)
Stoich.:	AB2C2D3E65F136 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-457.61
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754562
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(1S)-1-(4-formyl-1,3-oxazol-2-yl)-2-methylbutyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(CCCCCCCC)CCCCCCCCCOP(=O)(NCC[N+](C)(C)C)OCCCCCCCCC(CCCCCCCCC)SCCCCCCCCCCCC

DOS

IR

Vibrations