Geometry & MOs

Info

ID:	206382
PubChem CID:	80242132
Reduced:	ClNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	308.9823
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	1.79
IP(EA), eV:	-8.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-methylthiophen-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CSC=C1CNCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations