Geometry & MOs

Info

ID:	359469
PubChem CID:	127298743
Reduced:	ClSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-166.14
Dipole, Da:	4.39
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NC2=C(C=CC(=C2)N3CCCS3(=O)=O)Cl

DOS

IR

Vibrations