Geometry & MOs

Info

ID:	177177
PubChem CID:	76143773
Reduced:	NSO11H67C68 (1)
Stoich.:	ABC11D67E68 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-208.75
Dipole, Da:	3.14
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-hydroxy-4-methyl-1-phenylpent-3-en-2-yl)carbamate

Drug info:

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCC3C(C(C(C(O3)SC4=NC5=CC=CC=C5O4)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations