Geometry & MOs

Info

ID:	62912
PubChem CID:	26737595
Reduced:	SCl2N3O3C18H19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	416.92206
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	6.67
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-4-(5-bromothiophen-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(C=CC(=N3)Cl)Cl

DOS

IR

Vibrations