Geometry & MOs

Info

ID:	61053
PubChem CID:	26704884
Reduced:	N2S2O6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-195.95
Dipole, Da:	4.86
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3S)-3-phenylbutanoyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)OC

DOS

IR

Vibrations