Geometry & MOs

Info

ID:	129504
PubChem CID:	51072864
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	4.41
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)N2CCCCCCC2)S(=O)(=O)C

DOS

IR

Vibrations