Geometry & MOs

Info

ID:	225790
PubChem CID:	87226114
Reduced:	N3O5C31H45 (1)
Stoich.:	A3B5C31D45 (1)
Weight, g/mol:	267.978335
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	3.14
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanylthiophene-2-carbonyl chloride

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C(=C/CCCCC(=O)NOC1CCCCO1)/COC2=CC=CC3=CC=CC=C32)CN(C)C

DOS

IR

Vibrations