Geometry & MOs

Info

ID:	395042
PubChem CID:	135024504
Reduced:	ClO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	379.235873
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	4.32
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CC(=O)N2[C@H](C1=O)CC3=C(C2C4=CC=C(C=C4)Cl)NC5=CC=CC=C35

DOS

IR

Vibrations