Geometry & MOs

Info

ID:	395041
PubChem CID:	135024503
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	478.177168
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	4.33
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(8S)-2-(4-chlorophenyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CC(=O)N[C@H](C1=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations