Geometry & MOs

Info

ID:	244513
PubChem CID:	99356200
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	3.06
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aR,7aS)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N3CCCCCC3=N2)C(=O)N4[C@H]5CCCC[C@H]5C[C@@H]4C(=O)N

DOS

IR

Vibrations