Geometry & MOs

Info

ID:	299186
PubChem CID:	117676619
Reduced:	NOC18H35 (2)
Stoich.:	ABC18D35 (2)
Weight, g/mol:	620.27809
ΔH_f, kcal/mol:	-191.63
Dipole, Da:	3.67
IP(EA), eV:	-8.43(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[(1R,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-2-yl]-2,3-dihydroquinoxalin-1-yl] N-(5-hydroxy-2-adamantyl)carbamate

Drug info:

PubChemData

Smile

C1CN(C(CN1)CCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCCC=O

DOS

IR

Vibrations