Geometry & MOs

Info

ID:	328479
PubChem CID:	126723199
Reduced:	FON7H20C23 (1)
Stoich.:	ABC7D20E23 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	110.28
Dipole, Da:	2.69
IP(EA), eV:	-8.88(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,6'S,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-2-methoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=NN(C2=N1)CC3=CC=C(C=C3)OC)C4=NC5=C(C6(CC6)C(=C)N5)N=N4)F

DOS

IR

Vibrations