Geometry & MOs

Info

ID:	167767
PubChem CID:	74871940
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	350.95648
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	7.77
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-bromophenyl)prop-2-enoylamino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)O)C

DOS

IR

Vibrations