Geometry & MOs

Info

ID:	305529
PubChem CID:	124958489
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	418.22162
ΔH_f, kcal/mol:	-10.11
Dipole, Da:	5.9
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4R)-4-hydroxy-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CCCN(C2)C(=O)CC3=CSC(=N3)C)C

DOS

IR

Vibrations