Geometry & MOs

Info

ID:	314978
PubChem CID:	126624078
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	6.34
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-aminopropyl)-5-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCCC3=C(C2=O)C(=C(S3)N(C)C4CCC(=O)CC4)C)C

DOS

IR

Vibrations