Geometry & MOs

Info

ID:	243013
PubChem CID:	99215054
Reduced:	BrN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	414.14357
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	6.74
IP(EA), eV:	-8.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)Br)C(=O)NCC2=CN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations