Geometry & MOs

Info

ID:	37305
PubChem CID:	8019336
Reduced:	ClSN3O3C16H23 (1)
Stoich.:	ABC3D3E16F23 (1)
Weight, g/mol:	365.129694
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	9.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763258
Charge, e:	0

Chem-info

IUPAC name:

methyl (6S)-2-[[2-(cyclobutanecarbonyloxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C=CC[NH2+]CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

DOS

IR

Vibrations