Geometry & MOs

Info

ID:	430774
PubChem CID:	135170841
Reduced:	FON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	481.294057
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	5.4
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[3-[ethyl(1,5,6,7-tetrahydropyrano[3,2-b]pyrrole-2-carbonyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=CC3=C(N2)C=CC(=C3)F

DOS

IR

Vibrations