Geometry & MOs

Info

ID:	237238
PubChem CID:	92717984
Reduced:	SN3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	434.106706
ΔH_f, kcal/mol:	-116.61
Dipole, Da:	3.91
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations