Geometry & MOs

Info

ID:	322384
PubChem CID:	126669970
Reduced:	N2O8C25H40 (1)
Stoich.:	A2B8C25D40 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-313.28
Dipole, Da:	3.79
IP(EA), eV:	-9.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,4E)-4-methyl-1-oxohepta-4,6-dien-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)OC(=O)NCC(C)(C)O)OC)C

DOS

IR

Vibrations