Geometry & MOs

Info

ID:	302143
PubChem CID:	124349678
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-208.08
Dipole, Da:	2.55
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2CC[C@]3(CCC2=O)NC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations