Geometry & MOs

Info

ID:	270123
PubChem CID:	103629338
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=CN=C(C=C2)Br

DOS

IR

Vibrations