Geometry & MOs

Info

ID:	415135
PubChem CID:	135088121
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	350.177647
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	4.6
IP(EA), eV:	-9.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-ylsulfanyl-1-[(1S,5S)-7-(pyrimidin-5-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NO1)CNC(=O)[C@]2(C[C@H]3CC[C@@H]2N3C(=O)CO)CC4=CC=CC=C4

DOS

IR

Vibrations