Geometry & MOs

Info

ID:	449972
PubChem CID:	135302888
Reduced:	SN3O5C18H35 (1)
Stoich.:	AB3C5D18E35 (1)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-272.34
Dipole, Da:	3.92
IP(EA), eV:	-9.05(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-N-[(1S,2S)-1-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-6-[(1Z)-1-(2-methyl-1H-pyrrol-3-yl)buta-1,3-dienyl]spiro[2.6]nonane-9-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CCOC(=O)NN)NC(=O)CC(C)(C)OC(=O)CCCCCS

DOS

IR

Vibrations