Geometry & MOs

Info

ID:	29109
PubChem CID:	831663
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	325.017557
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	2.63
IP(EA), eV:	-8.89(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2-chlorophenoxy)acetyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@]2(C3CCN(C2=C)CC3)O)C

DOS

IR

Vibrations