Geometry & MOs

Info

ID:	414646
PubChem CID:	135087605
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	5.67
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridine-1-carbonyl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1C)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations