Geometry & MOs

Info

ID:	419077
PubChem CID:	135107439
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	6.71
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3S,4S)-4-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C(=CC=C2)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations