Geometry & MOs

Info

ID:	244606
PubChem CID:	99368195
Reduced:	BrO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	404.167083
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-yl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C(=O)CNC(=O)[C@@H]2CCN(C2=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations