Geometry & MOs

Info

ID:	13716
PubChem CID:	397166
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-173.09
Dipole, Da:	4.8
IP(EA), eV:	-8.46(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate

Drug info:

PubChemData

Smile

CCC1C2=C(C[C@@H]3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2

DOS

IR

Vibrations