Geometry & MOs

Info

ID:	421840
PubChem CID:	135116706
Reduced:	O7N8C32H44 (1)
Stoich.:	A7B8C32D44 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	-261.8
Dipole, Da:	6.35
IP(EA), eV:	-9.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(6-chloro-2H-chromen-3-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CNN=C3)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations