Geometry & MOs

Info

ID:	395077
PubChem CID:	135024604
Reduced:	NOH21C28 (1)
Stoich.:	ABC21D28 (1)
Weight, g/mol:	383.267173
ΔH_f, kcal/mol:	69.39
Dipole, Da:	4.33
IP(EA), eV:	-8.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6S,9S)-2,8,9-trihydroxy-4-methyl-13-azatricyclo[7.7.0.01,6]hexadecane-13-carboxylate

Drug info:

PubChemData

Smile

CC1=C/C(=C/NC2=CC3=C(C=C2)C4C5=CC=CC=C5C3C6=CC=CC=C46)/C(=O)C=C1

DOS

IR

Vibrations