Geometry & MOs

Info

ID:	414369
PubChem CID:	135087325
Reduced:	O2N3C15H21 (2)
Stoich.:	A2B3C15D21 (2)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	4.31
IP(EA), eV:	-9.12(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)CC3=CC=CC=N3

DOS

IR

Vibrations